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

390
References

8036
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.