CID 135790003

54758-71-3

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C=C1)C(=N)C2=CC=CC=C2O

InChI

InChI=1S/C13H11NO/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,14-15H

InChIKey

DOUQQEKNGVJESK-UHFFFAOYSA-N

Compound name

2-(benzenecarboximidoyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 163
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	141.7
[M+Na]+	220.07328	148.4
[M-H]-	196.07678	147.3
[M+NH4]+	215.11788	159.7
[M+K]+	236.04722	144.2
[M+H-H2O]+	180.08132	134.9
[M+HCOO]-	242.08226	165.4
[M+CH3COO]-	256.09791	184.5
[M+Na-2H]-	218.05873	148.4
[M]+	197.08351	138.4
[M]-	197.08461	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe