CID 5328454

4-(1h-1,3-benzodiazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C#N
InChI
InChI=1S/C14H9N3/c15-9-11-5-7-12(8-6-11)17-10-16-13-3-1-2-4-14(13)17/h1-8,10H
InChIKey
XAQRIJONSMHWCJ-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

219.07965 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08693 150.8
[M+Na]+ 242.06887 163.7
[M-H]- 218.07237 154.3
[M+NH4]+ 237.11347 167.0
[M+K]+ 258.04281 155.8
[M+H-H2O]+ 202.07691 135.3
[M+HCOO]- 264.07785 170.3
[M+CH3COO]- 278.09350 162.3
[M+Na-2H]- 240.05432 157.3
[M]+ 219.07910 146.8
[M]- 219.08020 146.8
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