CID 520403

2905-25-1

Structural Information

Molecular Formula

C₆H₄BrClO₂S

SMILES

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

InChI

InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H

InChIKey

VFPWGZNNRSQPBT-UHFFFAOYSA-N

Compound name

2-bromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1988
Patents: 253.88039 Da
Monoisotopic Mass: 2.6
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]+	254.88767	130.5
[M+Na]+	276.86961	135.0
[M+NH4]+	271.91421	136.1
[M+K]+	292.84355	133.8
[M-H]-	252.87311	130.7
[M+Na-2H]-	274.85506	135.0
[M]+	253.87984	130.7
[M]-	253.88094	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe