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]+ 315.08632 166.4
[M+Na]+ 337.06826 177.3
[M-H]- 313.07176 173.1
[M+NH4]+ 332.11286 185.0
[M+K]+ 353.04220 173.8
[M+H-H2O]+ 297.07630 160.9
[M+HCOO]- 359.07724 187.3
[M+CH3COO]- 373.09289 202.1
[M+Na-2H]- 335.05371 169.4
[M]+ 314.07849 171.2
[M]- 314.07959 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.