CID 23092

Benzimidazole, 4,6-dinitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3F3N4O4
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H3F3N4O4/c9-8(10,11)7-12-4-1-3(14(16)17)2-5(15(18)19)6(4)13-7/h1-2H,(H,12,13)
InChIKey
ABJSFSLMGRVNBG-UHFFFAOYSA-N
Compound name
4,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01793 146.7
[M+Na]+ 298.99987 155.8
[M-H]- 275.00337 145.3
[M+NH4]+ 294.04447 160.4
[M+K]+ 314.97381 144.1
[M+H-H2O]+ 259.00791 146.9
[M+HCOO]- 321.00885 166.4
[M+CH3COO]- 335.02450 183.1
[M+Na-2H]- 296.98532 158.4
[M]+ 276.01010 140.6
[M]- 276.01120 140.6
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