CID 197930

14689-51-1

Structural Information

Molecular Formula
C8H4F3N3O2
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3H,(H,12,13)
InChIKey
XHHVZQKTSKYLQH-UHFFFAOYSA-N
Compound name
4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

231.02556 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.032836 138.4
[M+Na]+ 254.014778 149.1
[M-H]- 230.018284 136.6
[M+NH4]+ 249.059383 155.4
[M+K]+ 269.988718 140.9
[M+H-H2O]+ 214.022820 134.3
[M+HCOO]- 276.023761 157.8
[M+CH3COO]- 290.039411 179.5
[M+Na-2H]- 252.000226 148.2
[M]+ 231.02501142 133.7
[M]- 231.02610858 133.7
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

patents stripe