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 148.5
[M+Na]+ 282.04607 160.1
[M-H]- 258.04957 147.1
[M+NH4]+ 277.09067 165.0
[M+K]+ 298.02001 151.5
[M+H-H2O]+ 242.05411 144.7
[M+HCOO]- 304.05505 167.1
[M+CH3COO]- 318.07070 187.9
[M+Na-2H]- 280.03152 155.9
[M]+ 259.05630 145.2
[M]- 259.05740 145.2
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