CID 1519133

4,4'-dibromo-2-nitrobiphenyl

Structural Information

Molecular Formula

C₁₂H₇Br₂NO₂

SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)Br)[N+](=O)[O-])Br

InChI

InChI=1S/C12H7Br2NO2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7H

InChIKey

FMSJGXRUJCWSJL-UHFFFAOYSA-N

Compound name

4-bromo-1-(4-bromophenyl)-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 96
Patents: 354.88434 Da
Monoisotopic Mass: 4.8
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]+	355.89162	160.2
[M+Na]+	377.87356	170.1
[M-H]-	353.87706	169.5
[M+NH4]+	372.91816	176.8
[M+K]+	393.84750	151.7
[M+H-H2O]+	337.88160	170.5
[M+HCOO]-	399.88254	177.6
[M+CH3COO]-	413.89819	207.1
[M+Na-2H]-	375.85901	167.2
[M]+	354.88379	194.1
[M]-	354.88489	194.1

Literature stripe

literature stripe

Patent stripe

patents stripe