CID 15758404

31892-41-8

Structural Information

Molecular Formula

C₈H₅N₃

SMILES

C1=CC=C2C(=C1)N=CN2C#N

InChI

InChI=1S/C8H5N3/c9-5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H

InChIKey

SGCJHVTWXFWDOD-UHFFFAOYSA-N

Compound name

benzimidazole-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 70
Patents: 143.04834 Da
Monoisotopic Mass: 1.6
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]+	144.05562	130.3
[M+Na]+	166.03756	144.1
[M+NH4]+	161.08216	135.9
[M+K]+	182.01150	135.5
[M-H]-	142.04106	124.7
[M+Na-2H]-	164.02301	135.5
[M]+	143.04779	129.9
[M]-	143.04889	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe