CID 22628233

2-(3-chlorophenyl)ethene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₆Cl₂O₂S

SMILES

C1=CC(=CC(=C1)Cl)/C=C/S(=O)(=O)Cl

InChI

InChI=1S/C8H6Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+

InChIKey

NSMOTSSAVGZLGC-SNAWJCMRSA-N

Compound name

(E)-2-(3-chlorophenyl)ethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 235.94655 Da
Monoisotopic Mass: 2.8
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]+	236.95383	147.9
[M+Na]+	258.93577	161.8
[M+NH4]+	253.98037	156.5
[M+K]+	274.90971	152.4
[M-H]-	234.93927	149.0
[M+Na-2H]-	256.92122	154.1
[M]+	235.94600	151.2
[M]-	235.94710	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe