Prediction of electron ionization mass spectra of О-alkyl methylfluorothionophosphonates
T13N1
Yu.I. Morozik, A.V. Dudkin2*, Yu.V. Tкachuk, I.V. Rybal’chenko, R.V. Khatymov3
Electron ionization mass spectra of poorly studied toxic alkyl methylfluorothionophosphonates and alkyl methylfluorophsphonates are discussed. It was shown that fragmentation of the compounds is in accordance with the general scheme of fragmentation of monofunctional organic compounds RX (X ‒ functional group), proposed by the authors previously. At the same time, some differences between the corresponding mass spectra are found. The most important difference occurs in their alkene subspectra containing alkene ion [R‒H]+• peak and peaks of its decay products. A method to simulate mass spectra of unknown alkyl methylfluorothionophosphonates by transformation of available mass spectra of their oxygen-containing analogues was developed.
