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: 203
Patents: 286.04773 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe