CID 208530

Phosphonothioic acid, (2-chloroethyl)-

Structural Information

Molecular Formula

C₂H₆ClO₂PS

SMILES

C(CCl)P(=S)(O)O

InChI

InChI=1S/C2H6ClO2PS/c3-1-2-6(4,5)7/h1-2H2,(H2,4,5,7)

InChIKey

AHEJETSIRUFWPC-UHFFFAOYSA-N

Compound name

2-chloroethyl-dihydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 159.95146 Da
Monoisotopic Mass: 0.7
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	126.1
[M+Na]+	182.940678	134.9
[M-H]-	158.944184	123.5
[M+NH4]+	177.985283	147.7
[M+K]+	198.914618	131.2
[M+H-H2O]+	142.948720	121.5
[M+HCOO]-	204.949661	143.0
[M+CH3COO]-	218.965311	167.9
[M+Na-2H]-	180.926126	127.7
[M]+	159.95091142	128.8
[M]-	159.95200858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe