CID 492671

Chembl388692

Structural Information

Molecular Formula
C20H11F4N3O2
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=C(C=CC=C4F)F)F
InChI
InChI=1S/C20H11F4N3O2/c21-13-3-1-4-14(22)12(13)10-26-18-8-7-11(27(28)29)9-17(18)25-20(26)19-15(23)5-2-6-16(19)24/h1-9H,10H2
InChIKey
YKVHYCOOFNVIBB-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-5-nitrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
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