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

78
Patents

219.07965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.086926 151.9
[M+Na]+ 242.068868 164.4
[M-H]- 218.072374 154.3
[M+NH4]+ 237.113473 167.6
[M+K]+ 258.042808 155.8
[M+H-H2O]+ 202.076910 136.9
[M+HCOO]- 264.077851 170.1
[M+CH3COO]- 278.093501 162.8
[M+Na-2H]- 240.054316 158.0
[M]+ 219.07910142 146.3
[M]- 219.08019858 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