CID 15145874

S-methyl alpha-chlorothioacetate

Structural Information

Molecular Formula

SMILES

CSC(=O)CCl

InChI

InChI=1S/C3H5ClOS/c1-6-3(5)2-4/h2H2,1H3

InChIKey

QASUKTWOCVXMIO-UHFFFAOYSA-N

Compound name

S-methyl 2-chloroethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 123.97496 Da
Monoisotopic Mass: 1.3
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]+	124.98224	121.0
[M+Na]+	146.96418	132.5
[M+NH4]+	142.00878	130.5
[M+K]+	162.93812	124.7
[M-H]-	122.96768	121.1
[M+Na-2H]-	144.94963	125.1
[M]+	123.97441	123.3
[M]-	123.97551	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe