CID 43091295

3-(1h-benzo[d]imidazol-2-yl)benzonitrile

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C14H9N3/c15-9-10-4-3-5-11(8-10)14-16-12-6-1-2-7-13(12)17-14/h1-8H,(H,16,17)
InChIKey
UTHJIZFNCKIADR-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

219.07965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe