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]+ 271.06011 156.0
[M+Na]+ 293.04205 166.9
[M-H]- 269.04555 161.4
[M+NH4]+ 288.08665 175.6
[M+K]+ 309.01599 162.0
[M+H-H2O]+ 253.05009 151.1
[M+HCOO]- 315.05103 176.0
[M+CH3COO]- 329.06668 190.3
[M+Na-2H]- 291.02750 160.0
[M]+ 270.05228 156.4
[M]- 270.05338 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.