CID 3055004

Brn 5598488

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC(=CC(=C1O)OC)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H14O6/c1-22-12-7-9(8-13(23-2)14(12)18)17(21)15(19)10-5-3-4-6-11(10)16(17)20/h3-8,18,21H,1-2H3
InChIKey
UJCIKMLUVDRHOH-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-3,5-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 168.7
[M+Na]+ 337.06826 181.5
[M+NH4]+ 332.11286 176.5
[M+K]+ 353.04220 176.2
[M-H]- 313.07176 170.6
[M+Na-2H]- 335.05371 174.5
[M]+ 314.07849 171.1
[M]- 314.07959 171.1
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.