CID 77123

Chlorfenazole

Structural Information

Molecular Formula

C₁₃H₉ClN₂

SMILES

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

InChI

InChI=1S/C13H9ClN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)

InChIKey

OILIYWFQRJOPAI-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 7882
Patents: 228.04543 Da
Monoisotopic Mass: 3.9
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]+	229.05271	147.1
[M+Na]+	251.03465	164.8
[M+NH4]+	246.07925	157.3
[M+K]+	267.00859	157.1
[M-H]-	227.03815	151.6
[M+Na-2H]-	249.02010	157.6
[M]+	228.04488	151.5
[M]-	228.04598	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe