CID 5328449

4-(1h-1,3-benzodiazol-1-yl)phenol

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)O

InChI

InChI=1S/C13H10N2O/c16-11-7-5-10(6-8-11)15-9-14-12-3-1-2-4-13(12)15/h1-9,16H

InChIKey

YPKCOJPZSAGCHD-UHFFFAOYSA-N

Compound name

4-(benzimidazol-1-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 210.07932 Da
Monoisotopic Mass: 2.7
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]+	211.08660	143.3
[M+Na]+	233.06854	154.3
[M-H]-	209.07204	148.0
[M+NH4]+	228.11314	161.7
[M+K]+	249.04248	149.1
[M+H-H2O]+	193.07658	135.4
[M+HCOO]-	255.07752	166.2
[M+CH3COO]-	269.09317	156.9
[M+Na-2H]-	231.05399	151.4
[M]+	210.07877	144.5
[M]-	210.07987	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe