CID 3047105

Brn 2471638

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-8-5-6-11(12(17)7-8)15(20)13(18)9-3-1-2-4-10(9)14(15)19/h1-7,16-17,20H
InChIKey
BOGBYMOQVPRZPV-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.05283 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 156.0
[M+Na]+ 293.042048 166.9
[M-H]- 269.045554 161.4
[M+NH4]+ 288.086653 175.6
[M+K]+ 309.015988 162.0
[M+H-H2O]+ 253.050090 151.1
[M+HCOO]- 315.051031 176.0
[M+CH3COO]- 329.066681 190.3
[M+Na-2H]- 291.027496 160.0
[M]+ 270.05228142 156.4
[M]- 270.05337858 156.4
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.