CID 54686232

38079-04-8

Structural Information

Molecular Formula

C₁₁H₈O₆

SMILES

CCOC(=O)C1=C(C(=O)C2=C(C1=O)OC=C2)O

InChI

InChI=1S/C11H8O6/c1-2-16-11(15)6-8(13)7(12)5-3-4-17-10(5)9(6)14/h3-4,13H,2H2,1H3

InChIKey

SXWXRCPGUHMLLI-UHFFFAOYSA-N

Compound name

ethyl 5-hydroxy-4,7-dioxo-1-benzofuran-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.03209 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]+	237.03937	143.8
[M+Na]+	259.02131	154.0
[M-H]-	235.02481	148.7
[M+NH4]+	254.06591	162.8
[M+K]+	274.99525	153.4
[M+H-H2O]+	219.02935	139.3
[M+HCOO]-	281.03029	165.2
[M+CH3COO]-	295.04594	187.8
[M+Na-2H]-	257.00676	147.9
[M]+	236.03154	148.8
[M]-	236.03264	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.