CID 136621

N-salicylideneaniline

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C=C1)N=CC2=CC=CC=C2O

InChI

InChI=1S/C13H11NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-10,15H

InChIKey

QIYHCQVVYSSDTI-UHFFFAOYSA-N

Compound name

2-(phenyliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 50
References: 785
Patents: 197.08406 Da
Monoisotopic Mass: 3.1
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]+	198.09134	141.1
[M+Na]+	220.07328	148.7
[M-H]-	196.07678	148.1
[M+NH4]+	215.11788	160.0
[M+K]+	236.04722	144.9
[M+H-H2O]+	180.08132	133.9
[M+HCOO]-	242.08226	167.4
[M+CH3COO]-	256.09791	185.5
[M+Na-2H]-	218.05873	149.5
[M]+	197.08351	140.2
[M]-	197.08461	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe