CID 4096046

99199-59-4

Structural Information

Molecular Formula

C₁₀H₅FO₄

SMILES

C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)

InChIKey

JZJYDFADRMBXAW-UHFFFAOYSA-N

Compound name

6-fluoro-4-oxochromene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 159
Patents: 208.01718 Da
Monoisotopic Mass: 1.7
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]+	209.02446	139.1
[M+Na]+	231.00640	152.6
[M+NH4]+	226.05100	146.2
[M+K]+	246.98034	147.7
[M-H]-	207.00990	140.4
[M+Na-2H]-	228.99185	144.2
[M]+	208.01663	141.3
[M]-	208.01773	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe