CID 4186632

Isopropylphosphonothioic dichloride

Structural Information

Molecular Formula

C₃H₇Cl₂PS

SMILES

CC(C)P(=S)(Cl)Cl

InChI

InChI=1S/C3H7Cl2PS/c1-3(2)6(4,5)7/h3H,1-2H3

InChIKey

AWNUBZHKFWJKLR-UHFFFAOYSA-N

Compound name

dichloro-propan-2-yl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 175.93831 Da
Monoisotopic Mass: 3.5
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]+	176.94559	126.7
[M+Na]+	198.92753	136.2
[M-H]-	174.93103	126.8
[M+NH4]+	193.97213	149.6
[M+K]+	214.90147	132.2
[M+H-H2O]+	158.93557	122.8
[M+HCOO]-	220.93651	139.7
[M+CH3COO]-	234.95216	178.1
[M+Na-2H]-	196.91298	127.0
[M]+	175.93776	131.0
[M]-	175.93886	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe