CID 3058939

75840-18-5

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C(C(=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)OC
InChI
InChI=1S/C17H14O6/c1-22-13-7-11(12(18)8-14(13)23-2)17(21)15(19)9-5-3-4-6-10(9)16(17)20/h3-8,18,21H,1-2H3
InChIKey
HKWHKLQNOZVEAG-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 166.4
[M+Na]+ 337.068258 177.3
[M-H]- 313.071764 173.1
[M+NH4]+ 332.112863 185.0
[M+K]+ 353.042198 173.8
[M+H-H2O]+ 297.076300 160.9
[M+HCOO]- 359.077241 187.3
[M+CH3COO]- 373.092891 202.1
[M+Na-2H]- 335.053706 169.4
[M]+ 314.07849142 171.2
[M]- 314.07958858 171.2
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.