CID 158393

5-fluoro-(2'-nitrofuryl)-2-benzimidazole

Structural Information

Molecular Formula
C11H6FN3O3
SMILES
C1=CC2=C(C=C1F)NC(=N2)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C11H6FN3O3/c12-6-1-2-7-8(5-6)14-11(13-7)9-3-4-10(18-9)15(16)17/h1-5H,(H,13,14)
InChIKey
YKCVVHOLBKXNPV-UHFFFAOYSA-N
Compound name
6-fluoro-2-(5-nitrofuran-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

17
Patents

247.03932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04660 146.6
[M+Na]+ 270.02854 156.9
[M-H]- 246.03204 151.5
[M+NH4]+ 265.07314 163.0
[M+K]+ 286.00248 149.7
[M+H-H2O]+ 230.03658 143.3
[M+HCOO]- 292.03752 169.9
[M+CH3COO]- 306.05317 183.0
[M+Na-2H]- 268.01399 154.4
[M]+ 247.03877 146.4
[M]- 247.03987 146.4
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