CID 441768

3',4',6,7-tetrahydroxyaurone

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H
InChIKey
PNIFOHGQPKXLJE-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

196
Patents

286.04773 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 159.6
[M+Na]+ 309.03695 169.8
[M-H]- 285.04045 164.3
[M+NH4]+ 304.08155 174.7
[M+K]+ 325.01089 165.7
[M+H-H2O]+ 269.04499 154.4
[M+HCOO]- 331.04593 177.2
[M+CH3COO]- 345.06158 192.0
[M+Na-2H]- 307.02240 162.0
[M]+ 286.04718 160.3
[M]- 286.04828 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.