CID 197761

Benzimidazole, 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8HF7N2
SMILES
C12=C(C(=C(C(=C1F)F)F)F)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HF7N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)
InChIKey
OEDUVWQRVFPZFW-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.0028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01008 143.1
[M+Na]+ 280.99202 158.4
[M-H]- 256.99552 136.9
[M+NH4]+ 276.03662 160.5
[M+K]+ 296.96596 151.9
[M+H-H2O]+ 241.00006 131.8
[M+HCOO]- 303.00100 156.7
[M+CH3COO]- 317.01665 193.7
[M+Na-2H]- 278.97747 145.9
[M]+ 258.00225 136.0
[M]- 258.00335 136.0
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