CID 58989134

Schembl2054817

Structural Information

Molecular Formula
C20H12O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,15,22H
InChIKey
VDBJCDWTNCKRTF-UHFFFAOYSA-N
Compound name
6'-hydroxyspiro[2-benzofuran-3,9'-9aH-xanthene]-1,3'-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5302
Patents

332.06848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07576 171.7
[M+Na]+ 355.05770 182.8
[M-H]- 331.06120 181.0
[M+NH4]+ 350.10230 189.3
[M+K]+ 371.03164 179.4
[M+H-H2O]+ 315.06574 164.4
[M+HCOO]- 377.06668 187.2
[M+CH3COO]- 391.08233 183.9
[M+Na-2H]- 353.04315 178.5
[M]+ 332.06793 173.7
[M]- 332.06903 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe