CID 5127797

3-chloro-n-(2-hydroxybenzylidene)aniline

Structural Information

Molecular Formula

C₁₃H₁₀ClNO

SMILES

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

InChI

InChI=1S/C13H10ClNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-9,16H

InChIKey

LNPIEQXKHFAABI-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 231.04509 Da
Monoisotopic Mass: 3.7
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]+	232.05237	148.3
[M+Na]+	254.03431	157.6
[M-H]-	230.03781	155.3
[M+NH4]+	249.07891	167.0
[M+K]+	270.00825	151.9
[M+H-H2O]+	214.04235	141.9
[M+HCOO]-	276.04329	169.9
[M+CH3COO]-	290.05894	190.4
[M+Na-2H]-	252.01976	155.3
[M]+	231.04454	150.0
[M]-	231.04564	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe