CID 95927

2050-48-8

Structural Information

Molecular Formula

C₁₂H₈Br₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H8Br2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey

QBNABJXQGRVIRA-UHFFFAOYSA-N

Compound name

1-bromo-4-(4-bromophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 953
Patents: 373.86118 Da
Monoisotopic Mass: 4.2
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]+	374.86846	142.3
[M+Na]+	396.85040	138.8
[M+NH4]+	391.89500	144.8
[M+K]+	412.82434	144.5
[M-H]-	372.85390	144.3
[M+Na-2H]-	394.83585	146.5
[M]+	373.86063	141.7
[M]-	373.86173	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe