CID 17832263

Sodium 6-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C1C(C(=O)NC2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H8FNO3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15)
InChIKey
DBHRUOWCJVLYQP-UHFFFAOYSA-N
Compound name
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.04883 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.056106 140.5
[M+Na]+ 232.038048 149.0
[M-H]- 208.041554 139.9
[M+NH4]+ 227.082653 157.8
[M+K]+ 248.011988 145.1
[M+H-H2O]+ 192.046090 133.8
[M+HCOO]- 254.047031 156.4
[M+CH3COO]- 268.062681 181.7
[M+Na-2H]- 230.023496 144.7
[M]+ 209.04828142 135.9
[M]- 209.04937858 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

No literature data available for this compound.

Patent stripe

patents stripe