CID 391675

Nsc691217

Structural Information

Molecular Formula
C16H10FN3O
SMILES
C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2)F
InChI
InChI=1S/C16H10FN3O/c17-12-6-2-1-5-10(12)15(21)11(9-18)16-19-13-7-3-4-8-14(13)20-16/h1-8,11H,(H,19,20)
InChIKey
GLWKLILVKWEEEZ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-3-(2-fluorophenyl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08078 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08806 166.0
[M+Na]+ 302.07000 176.9
[M-H]- 278.07350 166.8
[M+NH4]+ 297.11460 178.9
[M+K]+ 318.04394 168.6
[M+H-H2O]+ 262.07804 149.6
[M+HCOO]- 324.07898 181.0
[M+CH3COO]- 338.09463 175.0
[M+Na-2H]- 300.05545 168.3
[M]+ 279.08023 159.4
[M]- 279.08133 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.