CID 14842725

7-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

207.03317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 137.9
[M+Na]+ 230.022388 148.4
[M-H]- 206.025894 138.1
[M+NH4]+ 225.066993 155.5
[M+K]+ 245.996328 144.1
[M+H-H2O]+ 190.030430 131.1
[M+HCOO]- 252.031371 156.6
[M+CH3COO]- 266.047021 181.0
[M+Na-2H]- 228.007836 144.1
[M]+ 207.03262142 136.2
[M]- 207.03371858 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