CID 23084300

315495-26-2

Structural Information

Molecular Formula

C₈H₆BrClO₂S

SMILES

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

InChI

InChI=1S/C8H6BrClO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+

InChIKey

QAAQAKSRVIIUEV-AATRIKPKSA-N

Compound name

(E)-2-(4-bromophenyl)ethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 279.89603 Da
Monoisotopic Mass: 3.1
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]+	280.90331	138.8
[M+Na]+	302.88525	153.3
[M-H]-	278.88875	146.1
[M+NH4]+	297.92985	160.5
[M+K]+	318.85919	139.3
[M+H-H2O]+	262.89329	140.9
[M+HCOO]-	324.89423	151.6
[M+CH3COO]-	338.90988	188.4
[M+Na-2H]-	300.87070	145.9
[M]+	279.89548	161.4
[M]-	279.89658	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe