CID 12921440

7031-23-4

Structural Information

Molecular Formula

SMILES

CSCCC(=O)Cl

InChI

InChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3

InChIKey

NRHMXMBVLXSSAX-UHFFFAOYSA-N

Compound name

3-methylsulfanylpropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 348
Patents: 137.99062 Da
Monoisotopic Mass: 1.4
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]+	138.99790	125.2
[M+Na]+	160.97984	136.5
[M+NH4]+	156.02444	134.5
[M+K]+	176.95378	128.5
[M-H]-	136.98334	125.3
[M+Na-2H]-	158.96529	129.0
[M]+	137.99007	127.5
[M]-	137.99117	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe