CID 763204

3-(1h-benzoimidazol-2-yl)-phenol

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)O

InChI

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

InChIKey

UDVFXRGKRCNQBH-UHFFFAOYSA-N

Compound name

3-(1H-benzimidazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 210.07932 Da
Monoisotopic Mass: 2.9
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	144.6
[M+Na]+	233.06854	160.4
[M+NH4]+	228.11314	153.6
[M+K]+	249.04248	154.5
[M-H]-	209.07204	148.1
[M+Na-2H]-	231.05399	154.0
[M]+	210.07877	147.9
[M]-	210.07987	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe