CID 5792

50-97-5

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16)

InChIKey

JEAWPIKEEQZLJQ-UHFFFAOYSA-N

Compound name

1H-benzimidazol-2-yl(phenyl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 24
References: 140
Patents: 224.09496 Da
Monoisotopic Mass: 2.4
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]+	225.102236	148.1
[M+Na]+	247.084178	156.9
[M-H]-	223.087684	151.0
[M+NH4]+	242.128783	164.8
[M+K]+	263.058118	151.1
[M+H-H2O]+	207.092220	140.2
[M+HCOO]-	269.093161	168.1
[M+CH3COO]-	283.108811	160.1
[M+Na-2H]-	245.069626	154.8
[M]+	224.09441142	146.8
[M]-	224.09550858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe