CID 14369715

123790-84-1

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: 18
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]+	281.967976	151.4
[M+Na]+	303.949918	163.7
[M-H]-	279.953424	160.6
[M+NH4]+	298.994523	171.7
[M+K]+	319.923858	149.8
[M+H-H2O]+	263.957960	151.3
[M+HCOO]-	325.958901	170.3
[M+CH3COO]-	339.974551	166.3
[M+Na-2H]-	301.935366	159.7
[M]+	280.96015142	170.5
[M]-	280.96124858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe