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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe