CID 969308

2-chloro-n-(2-hydroxy-3-methoxybenzylidene)aniline

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

COC1=CC=CC(=C1O)C=NC2=CC=CC=C2Cl

InChI

InChI=1S/C14H12ClNO2/c1-18-13-8-4-5-10(14(13)17)9-16-12-7-3-2-6-11(12)15/h2-9,17H,1H3

InChIKey

XXXYNKHGNYDKPN-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)iminomethyl]-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.05566 Da
Monoisotopic Mass: 3.5
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]+	262.062936	155.9
[M+Na]+	284.044878	165.6
[M-H]-	260.048384	163.1
[M+NH4]+	279.089483	173.6
[M+K]+	300.018818	160.3
[M+H-H2O]+	244.052920	149.3
[M+HCOO]-	306.053861	177.4
[M+CH3COO]-	320.069511	196.7
[M+Na-2H]-	282.030326	161.7
[M]+	261.05511142	159.8
[M]-	261.05620858	159.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.