CID 162938

7-hydroxyflumequine

Structural Information

Molecular Formula
C14H12FNO4
SMILES
CC1CC(C2=CC(=CC3=C2N1C=C(C3=O)C(=O)O)F)O
InChI
InChI=1S/C14H12FNO4/c1-6-2-11(17)8-3-7(15)4-9-12(8)16(6)5-10(13(9)18)14(19)20/h3-6,11,17H,2H2,1H3,(H,19,20)
InChIKey
JTYQHEUSQWIRBH-UHFFFAOYSA-N
Compound name
7-fluoro-10-hydroxy-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

9
Patents

277.07504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.082316 158.4
[M+Na]+ 300.064258 168.8
[M-H]- 276.067764 158.7
[M+NH4]+ 295.108863 174.8
[M+K]+ 316.038198 164.4
[M+H-H2O]+ 260.072300 151.1
[M+HCOO]- 322.073241 172.6
[M+CH3COO]- 336.088891 199.1
[M+Na-2H]- 298.049706 162.0
[M]+ 277.07449142 158.6
[M]- 277.07558858 158.6
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