CID 62041145

8-fluoro-2-hydroxy-6-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO3
SMILES
CC1=CC2=C(C(=C1)F)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C11H8FNO3/c1-5-2-6-7(11(15)16)4-9(14)13-10(6)8(12)3-5/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKey
FCKDWQYMDFBQMU-UHFFFAOYSA-N
Compound name
8-fluoro-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04883 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 142.4
[M+Na]+ 244.03805 153.4
[M-H]- 220.04155 142.8
[M+NH4]+ 239.08265 159.7
[M+K]+ 260.01199 148.9
[M+H-H2O]+ 204.04609 135.6
[M+HCOO]- 266.04703 160.7
[M+CH3COO]- 280.06268 185.3
[M+Na-2H]- 242.02350 147.3
[M]+ 221.04828 141.4
[M]- 221.04938 141.4
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.