CID 53399571

1167056-89-4

Structural Information

Molecular Formula

C₁₀H₆FNO₃

SMILES

C1=CC2=NC=C(C(=C2C=C1F)C(=O)O)O

InChI

InChI=1S/C10H6FNO3/c11-5-1-2-7-6(3-5)9(10(14)15)8(13)4-12-7/h1-4,13H,(H,14,15)

InChIKey

UPTVMNMTVAWXBH-UHFFFAOYSA-N

Compound name

6-fluoro-3-hydroxyquinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 207.03317 Da
Monoisotopic Mass: 2.0
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	140.8
[M+Na]+	230.02239	153.6
[M+NH4]+	225.06699	147.7
[M+K]+	245.99633	148.5
[M-H]-	206.02589	140.1
[M+Na-2H]-	228.00784	145.8
[M]+	207.03262	142.2
[M]-	207.03372	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe