CID 13730326

4-methylsulfanyl-butyryl chloride

Structural Information

Molecular Formula

SMILES

CSCCCC(=O)Cl

InChI

InChI=1S/C5H9ClOS/c1-8-4-2-3-5(6)7/h2-4H2,1H3

InChIKey

QXRMVDLKSHMLTB-UHFFFAOYSA-N

Compound name

4-methylsulfanylbutanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 152.00627 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]+	153.01355	129.6
[M+Na]+	174.99549	140.7
[M+NH4]+	170.04009	138.7
[M+K]+	190.96943	132.4
[M-H]-	150.99899	129.6
[M+Na-2H]-	172.98094	133.1
[M]+	152.00572	131.8
[M]-	152.00682	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe