CID 22690285

938378-09-7

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=C(C=C1F)C=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-6-1-2-8-5(3-6)4-7(10(14)15)9(13)12-8/h1-4H,(H,12,13)(H,14,15)
InChIKey
NHROTQIETDGGMP-UHFFFAOYSA-N
Compound name
6-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

207.03317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 140.4
[M+Na]+ 230.02239 153.2
[M+NH4]+ 225.06699 147.0
[M+K]+ 245.99633 148.0
[M-H]- 206.02589 139.4
[M+Na-2H]- 228.00784 145.3
[M]+ 207.03262 141.7
[M]- 207.03372 141.7
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