CID 3047106

1,3-indandione, 2-hydroxy-2-(2,4,6-trihydroxyphenyl)-, hydrate

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=C(C=C(C=C3O)O)O)O
InChI
InChI=1S/C15H10O6/c16-7-5-10(17)12(11(18)6-7)15(21)13(19)8-3-1-2-4-9(8)14(15)20/h1-6,16-18,21H
InChIKey
UMZDBWOCYMXXJS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2,4,6-trihydroxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04773 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 160.6
[M+Na]+ 309.03695 172.6
[M+NH4]+ 304.08155 168.0
[M+K]+ 325.01089 168.5
[M-H]- 285.04045 161.5
[M+Na-2H]- 307.02240 165.7
[M]+ 286.04718 162.4
[M]- 286.04828 162.4
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.