CID 43453281

7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C1CC(=O)NC2=CC(=C(C=C21)C(=O)O)F
InChI
InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
InChIKey
SAJMBBKTNYDWGD-UHFFFAOYSA-N
Compound name
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.04883 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05611 140.5
[M+Na]+ 232.03805 149.0
[M-H]- 208.04155 139.9
[M+NH4]+ 227.08265 157.8
[M+K]+ 248.01199 145.1
[M+H-H2O]+ 192.04609 133.8
[M+HCOO]- 254.04703 156.4
[M+CH3COO]- 268.06268 181.7
[M+Na-2H]- 230.02350 144.7
[M]+ 209.04828 135.9
[M]- 209.04938 135.9
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

patents stripe