CID 3054424

Brn 2296937

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=CC(=C(C(=C1C)C2(C(=O)C3=CC=CC=C3C2=O)O)O)C
InChI
InChI=1S/C18H16O4/c1-9-8-10(2)15(19)14(11(9)3)18(22)16(20)12-6-4-5-7-13(12)17(18)21/h4-8,19,22H,1-3H3
InChIKey
BYSZEEXUVXSMAD-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-3,5,6-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 166.7
[M+Na]+ 319.09408 180.6
[M+NH4]+ 314.13868 175.6
[M+K]+ 335.06802 174.3
[M-H]- 295.09758 169.6
[M+Na-2H]- 317.07953 172.9
[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

No patent data available for this compound.