CID 629950

Bis(4-bromophenyl)amine

Structural Information

Molecular Formula

C₁₂H₉Br₂N

SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H

InChIKey

VKVHTZNHLOGHGP-UHFFFAOYSA-N

Compound name

4-bromo-N-(4-bromophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 689
Patents: 324.91016 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]+	325.91744	154.3
[M+Na]+	347.89938	150.8
[M+NH4]+	342.94398	157.1
[M+K]+	363.87332	155.7
[M-H]-	323.90288	157.3
[M+Na-2H]-	345.88483	158.1
[M]+	324.90961	153.7
[M]-	324.91071	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe