CID 17772

Methyl chlorothiolformate

Structural Information

Molecular Formula

SMILES

CSC(=O)Cl

InChI

InChI=1S/C2H3ClOS/c1-5-2(3)4/h1H3

InChIKey

YPSUCTSXOROPBS-UHFFFAOYSA-N

Compound name

S-methyl chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 766
Patents: 109.95931 Da
Monoisotopic Mass: 1.7
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]+	110.96659	116.7
[M+Na]+	132.94853	128.4
[M+NH4]+	127.99313	126.3
[M+K]+	148.92247	120.8
[M-H]-	108.95203	116.8
[M+Na-2H]-	130.93398	121.0
[M]+	109.95876	119.0
[M]-	109.95986	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe