CID 23469515

335281-13-5

Structural Information

Molecular Formula

C₈H₆Cl₂O₂S

SMILES

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

InChI

InChI=1S/C8H6Cl2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-6H/b6-5+

InChIKey

AUJUFTDORPTZBS-AATRIKPKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 235.94655 Da
Monoisotopic Mass: 3.0
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	142.6
[M+Na]+	258.93577	153.6
[M-H]-	234.93927	146.8
[M+NH4]+	253.98037	162.5
[M+K]+	274.90971	147.4
[M+H-H2O]+	218.94381	139.5
[M+HCOO]-	280.94475	152.1
[M+CH3COO]-	294.96040	183.0
[M+Na-2H]-	256.92122	146.8
[M]+	235.94600	147.6
[M]-	235.94710	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe