CID 525681

4-bromo-n-(4-chlorobenzylidene)aniline

Structural Information

Molecular Formula

C₁₃H₉BrClN

SMILES

C1=CC(=CC=C1C=NC2=CC=C(C=C2)Br)Cl

InChI

InChI=1S/C13H9BrClN/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-9H

InChIKey

TXWQGAMPPNBAPT-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 292.9607 Da
Monoisotopic Mass: 4.1
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]+	293.967976	154.5
[M+Na]+	315.949918	167.2
[M-H]-	291.953424	164.9
[M+NH4]+	310.994523	175.0
[M+K]+	331.923858	153.4
[M+H-H2O]+	275.957960	154.0
[M+HCOO]-	337.958901	174.7
[M+CH3COO]-	351.974551	200.2
[M+Na-2H]-	313.935366	162.8
[M]+	292.96015142	175.0
[M]-	292.96124858	175.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.