CID 3283907

N-(4-chlorobenzylidene)-o-toluidine

Structural Information

Molecular Formula

C₁₄H₁₂ClN

SMILES

CC1=CC=CC=C1N=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClN/c1-11-4-2-3-5-14(11)16-10-12-6-8-13(15)9-7-12/h2-10H,1H3

InChIKey

PNCLGTWPAKYJHE-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(2-methylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.06583 Da
Monoisotopic Mass: 4.2
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]+	230.07311	149.5
[M+Na]+	252.05505	158.9
[M-H]-	228.05855	157.6
[M+NH4]+	247.09965	169.0
[M+K]+	268.02899	153.3
[M+H-H2O]+	212.06309	142.8
[M+HCOO]-	274.06403	172.0
[M+CH3COO]-	288.07968	194.0
[M+Na-2H]-	250.04050	156.4
[M]+	229.06528	151.9
[M]-	229.06638	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe