CID 11138664

Benzenesulfonyl bromide

Structural Information

Molecular Formula

C₆H₅BrO₂S

SMILES

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

InChI

InChI=1S/C6H5BrO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey

CGWWQPZGKPHLBU-UHFFFAOYSA-N

Compound name

benzenesulfonyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 865
Patents: 219.91936 Da
Monoisotopic Mass: 1.5
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]+	220.926636	126.7
[M+Na]+	242.908578	140.1
[M-H]-	218.912084	133.9
[M+NH4]+	237.953183	149.5
[M+K]+	258.882518	128.9
[M+H-H2O]+	202.916620	128.1
[M+HCOO]-	264.917561	144.3
[M+CH3COO]-	278.933211	179.6
[M+Na-2H]-	240.894026	135.6
[M]+	219.91881142	147.4
[M]-	219.91990858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe