CID 18546313

Ns00133317

Structural Information

Molecular Formula

C₁₂H₈BrCl₂N

SMILES

C1=CC(=CC(=C1)Br)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H8BrCl2N/c13-8-3-1-4-9(7-8)16-12-10(14)5-2-6-11(12)15/h1-7,16H

InChIKey

SROZOYOJPWNRNR-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)-2,6-dichloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 314.92172 Da
Monoisotopic Mass: 5.4
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]+	315.928996	156.2
[M+Na]+	337.910938	170.0
[M-H]-	313.914444	164.9
[M+NH4]+	332.955543	175.9
[M+K]+	353.884878	154.8
[M+H-H2O]+	297.918980	156.8
[M+HCOO]-	359.919921	170.2
[M+CH3COO]-	373.935571	170.8
[M+Na-2H]-	335.896386	163.2
[M]+	314.92117142	176.7
[M]-	314.92226858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe