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

240
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

literature stripe

Patent stripe

patents stripe