CID 721205

117685-48-0

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=C(C=C1F)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
KCEJQAATYWQMMQ-UHFFFAOYSA-N
Compound name
6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

271
Patents

207.03317 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe