CID 3054435

Brn 2295730

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(C)C1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C18H16O4/c1-10(2)11-7-8-15(19)14(9-11)18(22)16(20)12-5-3-4-6-13(12)17(18)21/h3-10,19,22H,1-2H3
InChIKey
OXPCQWNHEDPTOK-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.1
[M+Na]+ 319.09408 175.9
[M-H]- 295.09758 172.4
[M+NH4]+ 314.13868 185.4
[M+K]+ 335.06802 171.2
[M+H-H2O]+ 279.10212 160.8
[M+HCOO]- 341.10306 185.4
[M+CH3COO]- 355.11871 200.1
[M+Na-2H]- 317.07953 167.6
[M]+ 296.10431 167.3
[M]- 296.10541 167.3
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.