CID 6425787

2-bromo-n-phenylaniline

Structural Information

Molecular Formula

C₁₂H₁₀BrN

SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2Br

InChI

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

InChIKey

WAAWAHYRHUWAFM-UHFFFAOYSA-N

Compound name

2-bromo-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
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	145.1
[M+Na]+	269.98888	150.7
[M+NH4]+	265.03348	151.6
[M+K]+	285.96282	148.4
[M-H]-	245.99238	149.4
[M+Na-2H]-	267.97433	152.9
[M]+	246.99911	146.2
[M]-	247.00021	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe