CID 707160

Ethyl 8-fluoro-4-hydroxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10FNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2F
InChI
InChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
MPUYCZQHTGRPNE-UHFFFAOYSA-N
Compound name
ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
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

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Patent stripe

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