CID 3054425

Brn 2298019

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=CC(=C(C(=C1C)O)C2(C(=O)C3=CC=CC=C3C2=O)O)C
InChI
InChI=1S/C18H16O4/c1-9-8-10(2)14(15(19)11(9)3)18(22)16(20)12-6-4-5-7-13(12)17(18)21/h4-8,19,22H,1-3H3
InChIKey
HXGKPXIPOCELGS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-3,4,6-trimethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 164.5
[M+Na]+ 319.09408 176.4
[M-H]- 295.09758 171.5
[M+NH4]+ 314.13868 184.5
[M+K]+ 335.06802 171.2
[M+H-H2O]+ 279.10212 159.6
[M+HCOO]- 341.10306 184.7
[M+CH3COO]- 355.11871 201.8
[M+Na-2H]- 317.07953 166.0
[M]+ 296.10431 167.1
[M]- 296.10541 167.1
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.