CID 525549

N-benzylidene-3-chloroaniline

Structural Information

Molecular Formula

C₁₃H₁₀ClN

SMILES

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

InChI

InChI=1S/C13H10ClN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-10H

InChIKey

ZEXWWDRAHMCQOE-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 215.05017 Da
Monoisotopic Mass: 3.4
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]+	216.05745	145.0
[M+Na]+	238.03939	153.9
[M-H]-	214.04289	152.9
[M+NH4]+	233.08399	164.7
[M+K]+	254.01333	148.5
[M+H-H2O]+	198.04743	138.3
[M+HCOO]-	260.04837	167.9
[M+CH3COO]-	274.06402	158.9
[M+Na-2H]-	236.02484	153.2
[M]+	215.04962	146.7
[M]-	215.05072	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe