CID 3047110

Brn 5594133

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=C(C(=C(C=C3)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-10-6-5-9(11(17)12(10)18)15(21)13(19)7-3-1-2-4-8(7)14(15)20/h1-6,16-18,21H
InChIKey
SKJXDVDQAIZNDT-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2,3,4-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 158.8
[M+Na]+ 309.03695 169.8
[M-H]- 285.04045 163.1
[M+NH4]+ 304.08155 177.2
[M+K]+ 325.01089 165.0
[M+H-H2O]+ 269.04499 154.2
[M+HCOO]- 331.04593 177.3
[M+CH3COO]- 345.06158 191.9
[M+Na-2H]- 307.02240 162.0
[M]+ 286.04718 159.4
[M]- 286.04828 159.4
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.