CID 17304

Dimethyl chlorothiophosphate

Structural Information

Molecular Formula

C₂H₆ClO₂PS

SMILES

COP(=S)(OC)Cl

InChI

InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3

InChIKey

XFBJRFNXPUCPKU-UHFFFAOYSA-N

Compound name

chloro-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3
References: 613
Patents: 159.95146 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.95874	124.2
[M+Na]+	182.94068	134.0
[M-H]-	158.94418	124.7
[M+NH4]+	177.98528	147.3
[M+K]+	198.91462	132.2
[M+H-H2O]+	142.94872	119.2
[M+HCOO]-	204.94966	144.1
[M+CH3COO]-	218.96531	173.3
[M+Na-2H]-	180.92613	126.9
[M]+	159.95091	130.9
[M]-	159.95201	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe