CID 198639

Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H2Cl2F3N3
SMILES
C1=C(C(=C(C2=C1NC(=N2)C(F)(F)F)Cl)Cl)C#N
InChI
InChI=1S/C9H2Cl2F3N3/c10-5-3(2-15)1-4-7(6(5)11)17-8(16-4)9(12,13)14/h1H,(H,16,17)
InChIKey
HKGDOOBSWGGNPM-UHFFFAOYSA-N
Compound name
6,7-dichloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9578 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.96508 150.7
[M+Na]+ 301.94702 166.1
[M-H]- 277.95052 147.3
[M+NH4]+ 296.99162 166.2
[M+K]+ 317.92096 157.5
[M+H-H2O]+ 261.95506 136.4
[M+HCOO]- 323.95600 156.3
[M+CH3COO]- 337.97165 160.9
[M+Na-2H]- 299.93247 154.1
[M]+ 278.95725 145.8
[M]- 278.95835 145.8
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.