CID 14369715

2-bromo-6-chloro-n-phenylaniline

Structural Information

Molecular Formula

C₁₂H₉BrClN

SMILES

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

InChI

InChI=1S/C12H9BrClN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H

InChIKey

JFCSJFULARWPIQ-UHFFFAOYSA-N

Compound name

2-bromo-6-chloro-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 280.9607 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]+	281.96798	151.7
[M+Na]+	303.94992	158.5
[M+NH4]+	298.99452	158.4
[M+K]+	319.92386	155.4
[M-H]-	279.95342	156.1
[M+Na-2H]-	301.93537	159.2
[M]+	280.96015	153.3
[M]-	280.96125	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe