CID 20676

Flunidazole

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
C1=CC(=CC=C1C2=NC=C(N2CCO)[N+](=O)[O-])F
InChI
InChI=1S/C11H10FN3O3/c12-9-3-1-8(2-4-9)11-13-7-10(15(17)18)14(11)5-6-16/h1-4,7,16H,5-6H2
InChIKey
OQKHPZHGTCHGOQ-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

459
Patents

251.07062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.077896 150.8
[M+Na]+ 274.059838 159.2
[M-H]- 250.063344 153.2
[M+NH4]+ 269.104443 165.6
[M+K]+ 290.033778 151.4
[M+H-H2O]+ 234.067880 146.5
[M+HCOO]- 296.068821 173.1
[M+CH3COO]- 310.084471 185.1
[M+Na-2H]- 272.045286 156.7
[M]+ 251.07007142 148.8
[M]- 251.07116858 148.8
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