CID 193757

480-70-6

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKey
WBEFUVAYFSOUEA-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

305
Patents

286.04773 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.055006 159.6
[M+Na]+ 309.036948 169.8
[M-H]- 285.040454 164.3
[M+NH4]+ 304.081553 174.7
[M+K]+ 325.010888 165.7
[M+H-H2O]+ 269.044990 154.4
[M+HCOO]- 331.045931 177.2
[M+CH3COO]- 345.061581 192.0
[M+Na-2H]- 307.022396 162.0
[M]+ 286.04718142 160.3
[M]- 286.04827858 160.3
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

No patent data available for this compound.