CID 710779

Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10FNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)F
InChI
InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
LNPRCADPRULVTR-UHFFFAOYSA-N
Compound name
ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

235.06447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07175 149.3
[M+Na]+ 258.05369 162.3
[M+NH4]+ 253.09829 155.9
[M+K]+ 274.02763 156.3
[M-H]- 234.05719 148.8
[M+Na-2H]- 256.03914 154.3
[M]+ 235.06392 150.8
[M]- 235.06502 150.8
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

patents stripe