CID 492670

Chembl58268

Structural Information

Molecular Formula
C20H11F4N3O2
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H11F4N3O2/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27(28)29)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9H,10H2
InChIKey
FTTUOZCBLQBLGS-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-nitrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

401.07874 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08602 189.4
[M+Na]+ 424.06796 200.9
[M-H]- 400.07146 194.0
[M+NH4]+ 419.11256 199.7
[M+K]+ 440.04190 188.4
[M+H-H2O]+ 384.07600 179.9
[M+HCOO]- 446.07694 208.4
[M+CH3COO]- 460.09259 219.0
[M+Na-2H]- 422.05341 191.9
[M]+ 401.07819 187.0
[M]- 401.07929 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe