CID 198644

Benzimidazole, 5-methyl-4,6,7-trifluoro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4F6N2
SMILES
CC1=C(C2=C(C(=C1F)F)N=C(N2)C(F)(F)F)F
InChI
InChI=1S/C9H4F6N2/c1-2-3(10)5(12)7-6(4(2)11)16-8(17-7)9(13,14)15/h1H3,(H,16,17)
InChIKey
KMBQBBFTNZANLA-UHFFFAOYSA-N
Compound name
4,5,7-trifluoro-6-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02786 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03514 145.2
[M+Na]+ 277.01708 160.1
[M-H]- 253.02058 140.1
[M+NH4]+ 272.06168 162.9
[M+K]+ 292.99102 153.8
[M+H-H2O]+ 237.02512 134.7
[M+HCOO]- 299.02606 159.6
[M+CH3COO]- 313.04171 193.7
[M+Na-2H]- 275.00253 148.1
[M]+ 254.02731 139.7
[M]- 254.02841 139.7
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.