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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.039366 143.8
[M+Na]+ 259.021308 154.0
[M-H]- 235.024814 148.7
[M+NH4]+ 254.065913 162.8
[M+K]+ 274.995248 153.4
[M+H-H2O]+ 219.029350 139.3
[M+HCOO]- 281.030291 165.2
[M+CH3COO]- 295.045941 187.8
[M+Na-2H]- 257.006756 147.9
[M]+ 236.03154142 148.8
[M]- 236.03263858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.