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: 103
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]+	248.00694	145.7
[M+Na]+	269.98888	156.1
[M-H]-	245.99238	154.8
[M+NH4]+	265.03348	166.1
[M+K]+	285.96282	144.1
[M+H-H2O]+	229.99692	144.8
[M+HCOO]-	291.99786	169.0
[M+CH3COO]-	306.01351	160.6
[M+Na-2H]-	267.97433	155.2
[M]+	246.99911	162.4
[M]-	247.00021	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe