CID 17304

Dimethyl phosphorochloridothionate

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

4
Annotation Hits: 3
References: 1022
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]+	160.958736	124.2
[M+Na]+	182.940678	134.0
[M-H]-	158.944184	124.7
[M+NH4]+	177.985283	147.3
[M+K]+	198.914618	132.2
[M+H-H2O]+	142.948720	119.2
[M+HCOO]-	204.949661	144.1
[M+CH3COO]-	218.965311	173.3
[M+Na-2H]-	180.926126	126.9
[M]+	159.95091142	130.9
[M]-	159.95200858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe