CID 11535881

4110-15-0

Structural Information

Molecular Formula

C₁₄H₉N₃

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H9N3/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H,(H,16,17)

InChIKey

INIBMZLOCLDDMA-UHFFFAOYSA-N

Compound name

4-(1H-benzimidazol-2-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
Patents: 219.07965 Da
Monoisotopic Mass: 3.0
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]+	220.08693	151.9
[M+Na]+	242.06887	164.4
[M-H]-	218.07237	154.3
[M+NH4]+	237.11347	167.6
[M+K]+	258.04281	155.8
[M+H-H2O]+	202.07691	136.9
[M+HCOO]-	264.07785	170.1
[M+CH3COO]-	278.09350	162.8
[M+Na-2H]-	240.05432	158.0
[M]+	219.07910	146.3
[M]-	219.08020	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe