CID 55280158

3-chloroprop-2-ene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₄Cl₂O₂S

SMILES

C(/C=C/Cl)S(=O)(=O)Cl

InChI

InChI=1S/C3H4Cl2O2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+

InChIKey

OZTXHUAINKWGIO-OWOJBTEDSA-N

Compound name

(E)-3-chloroprop-2-ene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.93091 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]+	174.938186	127.0
[M+Na]+	196.920128	137.4
[M-H]-	172.923634	127.9
[M+NH4]+	191.964733	149.1
[M+K]+	212.894068	132.9
[M+H-H2O]+	156.928170	125.2
[M+HCOO]-	218.929111	136.3
[M+CH3COO]-	232.944761	171.8
[M+Na-2H]-	194.905576	131.5
[M]+	173.93036142	131.6
[M]-	173.93145858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.