CID 61195

Methylphosphonothioic dichloride

Structural Information

Molecular Formula

SMILES

CP(=S)(Cl)Cl

InChI

InChI=1S/CH3Cl2PS/c1-4(2,3)5/h1H3

InChIKey

TUNCWCIKOHOGJX-UHFFFAOYSA-N

Compound name

dichloro-methyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 147.90701 Da
Monoisotopic Mass: 2.7
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]+	148.91429	118.2
[M+Na]+	170.89623	128.8
[M-H]-	146.89973	118.5
[M+NH4]+	165.94083	142.2
[M+K]+	186.87017	125.0
[M+H-H2O]+	130.90427	114.7
[M+HCOO]-	192.90521	132.8
[M+CH3COO]-	206.92086	171.4
[M+Na-2H]-	168.88168	120.5
[M]+	147.90646	122.3
[M]-	147.90756	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe