CID 89983236

1565780-80-4

Structural Information

Molecular Formula
C11H8FNO3
SMILES
CC1=C(C(=C2C=CC=C(C2=N1)F)C(=O)O)O
InChI
InChI=1S/C11H8FNO3/c1-5-10(14)8(11(15)16)6-3-2-4-7(12)9(6)13-5/h2-4,14H,1H3,(H,15,16)
InChIKey
WSFHKUPNCZJNOL-UHFFFAOYSA-N
Compound name
8-fluoro-3-hydroxy-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.04883 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05611 143.3
[M+Na]+ 244.03805 154.1
[M-H]- 220.04155 143.7
[M+NH4]+ 239.08265 160.7
[M+K]+ 260.01199 150.2
[M+H-H2O]+ 204.04609 136.5
[M+HCOO]- 266.04703 161.5
[M+CH3COO]- 280.06268 186.1
[M+Na-2H]- 242.02350 148.3
[M]+ 221.04828 143.1
[M]- 221.04938 143.1
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