CID 55960

Benzimidazole, 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C10H8F3N3O2
SMILES
CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=C(N2)C(F)(F)F
InChI
InChI=1S/C10H8F3N3O2/c1-4-3-6-7(8(5(4)2)16(17)18)15-9(14-6)10(11,12)13/h3H,1-2H3,(H,14,15)
InChIKey
HMWZHAXMGSDNNR-UHFFFAOYSA-N
Compound name
5,6-dimethyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05685 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06413 145.5
[M+Na]+ 282.04607 155.9
[M+NH4]+ 277.09067 150.3
[M+K]+ 298.02001 156.0
[M-H]- 258.04957 142.4
[M+Na-2H]- 280.03152 148.6
[M]+ 259.05630 145.7
[M]- 259.05740 145.7
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.