CID 14958606

3-bromodiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₀BrN

SMILES

C1=CC=C(C=C1)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H10BrN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H

InChIKey

IXTBFWCKFRFDOO-UHFFFAOYSA-N

Compound name

3-bromo-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 246.99966 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]+	248.006936	145.7
[M+Na]+	269.988878	156.1
[M-H]-	245.992384	154.8
[M+NH4]+	265.033483	166.1
[M+K]+	285.962818	144.1
[M+H-H2O]+	229.996920	144.8
[M+HCOO]-	291.997861	169.0
[M+CH3COO]-	306.013511	160.6
[M+Na-2H]-	267.974326	155.2
[M]+	246.99911142	162.4
[M]-	247.00020858	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe