CID 89983236

8-fluoro-3-hydroxy-2-methylquinoline-4-carboxylic acid

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]+ 222.056106 143.3
[M+Na]+ 244.038048 154.1
[M-H]- 220.041554 143.7
[M+NH4]+ 239.082653 160.7
[M+K]+ 260.011988 150.2
[M+H-H2O]+ 204.046090 136.5
[M+HCOO]- 266.047031 161.5
[M+CH3COO]- 280.062681 186.1
[M+Na-2H]- 242.023496 148.3
[M]+ 221.04828142 143.1
[M]- 221.04937858 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