CID 13046268

3-[(chloromethyl)sulfanyl]prop-1-ene

Structural Information

Molecular Formula

SMILES

C=CCSCCl

InChI

InChI=1S/C4H7ClS/c1-2-3-6-4-5/h2H,1,3-4H2

InChIKey

XAKHMXAZBAGPKG-UHFFFAOYSA-N

Compound name

3-(chloromethylsulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 121.9957 Da
Monoisotopic Mass: 2.2
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]+	123.00298	121.7
[M+Na]+	144.98492	133.8
[M+NH4]+	140.02952	131.7
[M+K]+	160.95886	124.5
[M-H]-	120.98842	122.5
[M+Na-2H]-	142.97037	126.3
[M]+	121.99515	124.4
[M]-	121.99625	124.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.