CID 47000627

1227465-79-3

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=C(C=C1F)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-4H,(H,12,13)(H,14,15)
InChIKey
JNJDJHAPAYHLSZ-UHFFFAOYSA-N
Compound name
7-fluoro-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.03317 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 137.9
[M+Na]+ 230.02239 148.4
[M-H]- 206.02589 138.1
[M+NH4]+ 225.06699 155.5
[M+K]+ 245.99633 144.1
[M+H-H2O]+ 190.03043 131.1
[M+HCOO]- 252.03137 156.6
[M+CH3COO]- 266.04702 181.0
[M+Na-2H]- 228.00784 144.1
[M]+ 207.03262 136.2
[M]- 207.03372 136.2
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