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

97
Patents

235.06447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.071746 146.9
[M+Na]+ 258.053688 157.1
[M-H]- 234.057194 148.2
[M+NH4]+ 253.098293 164.2
[M+K]+ 274.027628 153.2
[M+H-H2O]+ 218.061730 139.4
[M+HCOO]- 280.062671 166.5
[M+CH3COO]- 294.078321 188.8
[M+Na-2H]- 256.039136 152.5
[M]+ 235.06392142 147.7
[M]- 235.06501858 147.7
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

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