CID 18056

2941-64-2

Structural Information

Molecular Formula

SMILES

CCSC(=O)Cl

InChI

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

InChIKey

QCMHWZUFWLOOGI-UHFFFAOYSA-N

Compound name

S-ethyl chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 505
Patents: 123.97496 Da
Monoisotopic Mass: 2.1
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

literature stripe

Patent stripe

patents stripe