CID 242845

4-chloro-n-(4-chlorobenzylidene)aniline

Structural Information

Molecular Formula

C₁₃H₉Cl₂N

SMILES

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

InChI

InChI=1S/C13H9Cl2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H

InChIKey

PTAAKBXEUATSIJ-UHFFFAOYSA-N

Compound name

N,1-bis(4-chlorophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 249.0112 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]+	250.018476	152.1
[M+Na]+	272.000418	162.2
[M-H]-	248.003924	159.4
[M+NH4]+	267.045023	171.1
[M+K]+	287.974358	155.5
[M+H-H2O]+	232.008460	146.0
[M+HCOO]-	294.009401	169.7
[M+CH3COO]-	308.025051	165.4
[M+Na-2H]-	269.985866	158.5
[M]+	249.01065142	155.4
[M]-	249.01174858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe