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]+ 287.055006 158.8
[M+Na]+ 309.036948 169.8
[M-H]- 285.040454 163.1
[M+NH4]+ 304.081553 177.2
[M+K]+ 325.010888 165.0
[M+H-H2O]+ 269.044990 154.2
[M+HCOO]- 331.045931 177.3
[M+CH3COO]- 345.061581 191.9
[M+Na-2H]- 307.022396 162.0
[M]+ 286.04718142 159.4
[M]- 286.04827858 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.