CID 3374

Flumequine

Structural Information

Molecular Formula
C14H12FNO3
SMILES
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
InChIKey
DPSPPJIUMHPXMA-UHFFFAOYSA-N
Compound name
7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

389
References

8204
Patents

261.0801 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08738 154.9
[M+Na]+ 284.06932 165.0
[M-H]- 260.07282 156.3
[M+NH4]+ 279.11392 172.5
[M+K]+ 300.04326 160.6
[M+H-H2O]+ 244.07736 147.2
[M+HCOO]- 306.07830 170.5
[M+CH3COO]- 320.09395 197.8
[M+Na-2H]- 282.05477 159.5
[M]+ 261.07955 154.9
[M]- 261.08065 154.9
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