CID 89970

1-bromo-4-(phenylsulfonyl)benzene

Structural Information

Molecular Formula

C₁₂H₉BrO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H9BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

InChIKey

WUQDRRXKNVIWIR-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-4-bromobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 196
Patents: 295.95065 Da
Monoisotopic Mass: 3.2
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]+	296.95793	141.4
[M+Na]+	318.93987	146.7
[M+NH4]+	313.98447	147.1
[M+K]+	334.91381	144.8
[M-H]-	294.94337	143.9
[M+Na-2H]-	316.92532	148.5
[M]+	295.95010	142.3
[M]-	295.95120	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe