| Phosgene | Cl2CO | CCl2O | C 1s | ph-0cckk.os | HUR92 |
| Phosgene | Cl2CO | CCl2O | O 1s | ph-0ookk.os | HUR92 |
| Carbonyl Fluoride | CF2O | CF2O | C 1s | cf-0cckk.os | RI&88 |
| Carbonyl Fluoride | CF2O | CF2O | F 1s | cf-0ffkk.os | RI&88 |
| Carbonyl Fluoride | CF2O | CF2O | O 1s | cf-0ookk.os | RI&88 |
| Trifluoromethane | CF3H | CF3H | C 1s | ty-0cckk.os | HN86 |
| Trifluoromethane | CF3H | CF3H | F 1s | ty-0ffkk.os | HN86 |
| Trifluoronitrosomethane | CF3NO | CF3NO | C 1s | nm-0cckk.os | HIR89 |
| Trifluoronitrosomethane | CF3NO | CF3NO | F 1s | nm-0ffkk.os | HIR89 |
| Trifluoronitrosomethane | CF3NO | CF3NO | N 1s | nm-0nnkk.os | HIR89 |
| Trifluoronitrosomethane | CF3NO | CF3NO | O 1s | nm-0ookk.os | HIR89 |
| Tetrafluoromethane (or Freon-114) | CF4 | CF4 | C 1s | mt-0cckk.os | IM&88 |
| Tetrafluoromethane (or Freon-114) | CF4 | CF4 | F 1s | mt-0ffkk.os | IM&88 |
| Trifluoromethylhypofluorite | CF3OF | CF4O | C 1s | mh-0cckk.os | MI&87 |
| Trifluoromethylhypofluorite | CF3OF | CF4O | F 1s | mh-0ffkk.os | MI&87 |
| Trifluoromethylhypofluorite | CF3OF | CF4O | O 1s | mh-0ookk.os | MI&87 |
| Methy fluoride | CH3F | CFH3 | C 1s | my-0cckk.os | H92a |
| Methy fluoride | CH3F | CFH3 | F 1s | my-0ffkk.os | H92a |
| Formylfluoride | CFHO | CFHO | C 1s | fl-0cckk.os | RI&88 |
| Formylfluoride | CFHO | CFHO | O 1s | fl-0ookk.os | RI&88 |
| Formylfluoride | FCHO | CFHO | F 1s | fl-0ffkk.os | IH87 |
| Formic acid | HCOOH | CH2O2 | C 1s | fa-0cckk.os | IH87 |
| Formic acid | HCOOH | CH2O2 | O 1s | fa-0ookk.os | IH87 |
| Formamide | CH3NO | CH3ON | N 1s | fm-0nnkk.os | RI&88 |
| Formamide | HCONH2 | CH3ON | C 1s | fm-0cckk.os | IH87 |
| Formamide | HCONH2 | CH3ON | O 1s | fm-0ookk.os | IH87 |
| Methane | CH4 | CH4 | C 1s | me-0cckk.os | KH08 |
| Urea | (NH2)2C=O | CH4N2O | C 1s | ur-0cckk.os | UH&95b |
| Urea | (NH2)2C=O | CH4N2O | N 1s | ur-0nnkk.os | UH&95b |
| Urea | (NH2)2C=O | CH4N2O | O 1s | ur-0ookk.os | UH&95b |
| methanol | CH3OH | CH4O | C 1s | ml-0cckk.os | IH88 |
| methanol | CH3OH | CH4O | O 1s | ml-0ookk.os | IH88 |
| methane sulfonic acid | CH3SO3H | CH4O3S | C 1s | mv-0cckk.os | HH14 |
| methane sulfonic acid | CH3SO3H | CH4O3S | O 1s | mv-0ookk.os | HH14 |
| methane sulfonic acid | CH3SO3H | CH4O3S | S 2p, S 2s | mv-0ssll.os | HH14 |
| Methyl mercaptan | CH3SH | CH4S | C 1s | mm-0cckk.os | DTH90 |
| Methyl mercaptan | CH3SH | CH4S | S 2p,2s | mm-0ssll.os | DTH90 |
| Chlorine | Cl (atomic) | Cl | Cl 2p | aaa-clll.os | SF |
| Silicon tetrachloride | SiCl4 | Cl4Si | Cl 2p | sg-0cll3.os | W92 |
| Silicon tetrachloride | SiCl4 | Cl4Si | Si 2p | sg-0sil3.os | W92 |
| Titanium tetrachloride | TiCl4 | Cl4Ti | Cl 2p | tj-0cll3.os | WH93 |
| Titanium tetrachloride | TiCl4 | Cl4Ti | Ti 2p | tj-0til3.os | WH93 |
| hexachlorodisilane | Cl3SiSiCl3 | Cl6Si2 | Cl 2p | sc-0cll3.os | W92 |
| hexachlorodisilane | Cl3SiSiCl3 | Cl6Si2 | Si 2p | sc-0sil3.os | W92 |
| Di-t-butylphosphorus chloride | (C4H9)2PCl | ClC8H18P | C 1s | pb-0cckk.os | HH+98 |
| Di-t-butylphosphorus chloride | (C4H9)2PCl | ClC8H18P | Cl 2p | pb-0xxmm.os | HH+98 |
| Di-t-butylphosphorus chloride | (C4H9)2PCl | ClC8H18P | P 2p | pb-0ppmm.os | HH+98 |
| Cobalt | C (atomic) | Co | Co 2p | aaa-coll.os | SF |
| Carbonmonoxide | CO | CO | C 1s | co-0cckk.os | HB80a |
| Carbonmonoxide | CO | CO | O 1s | co-0ookk.os | HB80a |
| Carbon dioxide | CO2 | CO2 | C 1s | cd-0cckk.os | MC&87 |
| Carbon dioxide | CO2 | CO2 | O 1s | cd-0ookk.os | MC&87 |
| Carbonyl sulfide | COS | COS | C 1s | so-0cckk.os | MH&89 |
| Carbonyl sulfide | COS | COS | O 1s | so-0ookk.os | MH&89 |
| Carbonyl sulfide | COS | COS | S 2p | so-0ssl3.os | MH&89 |
| Carbondisulphide | CS2 | CS2 | C 1s | cs-0cckk.os | MH&89 |
| Carbondisulphide | CS2 | CS2 | S 2p | cs-0ssl3.os | MH&89 |