CID 688893

69155-76-6

Structural Information

Molecular Formula

C₁₀H₅FO₃

SMILES

C1=CC2=C(C=C1F)C(=O)C(=CO2)C=O

InChI

InChI=1S/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H

InChIKey

VHRMOTNEBIKURN-UHFFFAOYSA-N

Compound name

6-fluoro-4-oxochromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 34
Patents: 192.02228 Da
Monoisotopic Mass: 1.3
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]+	193.02956	135.4
[M+Na]+	215.01150	150.4
[M+NH4]+	210.05610	143.6
[M+K]+	230.98544	143.8
[M-H]-	191.01500	137.9
[M+Na-2H]-	212.99695	142.0
[M]+	192.02173	138.3
[M]-	192.02283	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe