CID 198638

4,5,7-trifluoro-2-(trifluoromethyl)benzimidazole

Structural Information

Molecular Formula
C8H2F6N2
SMILES
C1=C(C2=C(C(=C1F)F)NC(=N2)C(F)(F)F)F
InChI
InChI=1S/C8H2F6N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)
InChIKey
ZPYUMXGVUPRXGQ-UHFFFAOYSA-N
Compound name
4,6,7-trifluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01222 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01950 140.2
[M+Na]+ 263.00144 154.6
[M-H]- 239.00494 134.9
[M+NH4]+ 258.04604 158.2
[M+K]+ 278.97538 148.6
[M+H-H2O]+ 223.00948 129.5
[M+HCOO]- 285.01042 155.0
[M+CH3COO]- 299.02607 189.5
[M+Na-2H]- 260.98689 144.3
[M]+ 240.01167 134.0
[M]- 240.01277 134.0
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.