CID 46886491

Chembl1092966

Structural Information

Molecular Formula
C14H7F5N2
SMILES
C1=CC(=C(C(=C1)F)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)F
InChI
InChI=1S/C14H7F5N2/c15-8-2-1-3-9(16)12(8)13-20-10-5-4-7(14(17,18)19)6-11(10)21-13/h1-6H,(H,20,21)
InChIKey
DEOOSNIGWNBSCQ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.05295 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06023 160.7
[M+Na]+ 321.04217 173.8
[M-H]- 297.04567 159.5
[M+NH4]+ 316.08677 175.9
[M+K]+ 337.01611 165.9
[M+H-H2O]+ 281.05021 148.9
[M+HCOO]- 343.05115 175.9
[M+CH3COO]- 357.06680 171.7
[M+Na-2H]- 319.02762 164.3
[M]+ 298.05240 155.6
[M]- 298.05350 155.6
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

No patent data available for this compound.