CID 3054434

Brn 2292684

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 167.1
[M+Na]+ 319.09408 179.9
[M+NH4]+ 314.13868 175.8
[M+K]+ 335.06802 174.0
[M-H]- 295.09758 169.7
[M+Na-2H]- 317.07953 173.4
[M]+ 296.10431 169.7
[M]- 296.10541 169.7
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

patents stripe