CID 28911288

4'-bromobiphenyl-3-amine

Structural Information

Molecular Formula

C₁₂H₁₀BrN

SMILES

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

InChI

InChI=1S/C12H10BrN/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,14H2

InChIKey

FZYOAXSSNIJFCY-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 246.99966 Da
Monoisotopic Mass: 3.6
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	145.0
[M+Na]+	269.98888	150.7
[M+NH4]+	265.03348	151.3
[M+K]+	285.96282	148.8
[M-H]-	245.99238	149.2
[M+Na-2H]-	267.97433	152.1
[M]+	246.99911	146.0
[M]-	247.00021	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe