CID 42607763

4,6,4'-trihydroxyaurone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=CC=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1-7,16-18H
InChIKey
ACGXIFQKQYZLOU-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

270.05283 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 156.4
[M+Na]+ 293.04205 166.4
[M-H]- 269.04555 162.1
[M+NH4]+ 288.08665 172.7
[M+K]+ 309.01599 162.3
[M+H-H2O]+ 253.05009 151.0
[M+HCOO]- 315.05103 175.5
[M+CH3COO]- 329.06668 190.3
[M+Na-2H]- 291.02750 159.8
[M]+ 270.05228 157.0
[M]- 270.05338 157.0
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