A class of S-alkyl methylphosphonochloridothioites 3 (11 compounds), S,Sʹ-dialkyl methylphosphonodithioites 4 (12 compounds), and S-alkyl S′-alkyl′ methylphosphonodithioites 5 (9 compounds) were synthesized and were analyzed under gas chromatography–electron ionization mass spectrometry conditions.

The results would be valuable during toxic chemical destruction monitoring in support of chemical weapons convention (CWC) and for the verification of state-parties activities, based on CWC context.

Generalized fragmentation pathways under experimental condition for synthesized compounds are proposed based on analysis of fragment ions of deuterated analogs and density functional theory (DFT) calculations.