CID 12319556

2-chloroethene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₂Cl₂O₂S

SMILES

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

InChI

InChI=1S/C2H2Cl2O2S/c3-1-2-7(4,5)6/h1-2H/b2-1+

InChIKey

HDRWVCCMIQAASS-OWOJBTEDSA-N

Compound name

(E)-2-chloroethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 159.91525 Da
Monoisotopic Mass: 1.2
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]+	160.922526	122.4
[M+Na]+	182.904468	133.3
[M-H]-	158.907974	123.6
[M+NH4]+	177.949073	145.1
[M+K]+	198.878408	129.0
[M+H-H2O]+	142.912510	120.9
[M+HCOO]-	204.913451	132.0
[M+CH3COO]-	218.929101	168.9
[M+Na-2H]-	180.889916	127.4
[M]+	159.91470142	126.7
[M]-	159.91579858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe