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]+ 297.112136 166.1
[M+Na]+ 319.094078 175.9
[M-H]- 295.097584 172.4
[M+NH4]+ 314.138683 185.4
[M+K]+ 335.068018 171.2
[M+H-H2O]+ 279.102120 160.8
[M+HCOO]- 341.103061 185.4
[M+CH3COO]- 355.118711 200.1
[M+Na-2H]- 317.079526 167.6
[M]+ 296.10431142 167.3
[M]- 296.10540858 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

patents stripe