CID 3054423

Brn 2288384

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=CC(=CC(=C1O)C)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H14O4/c1-9-7-11(8-10(2)14(9)18)17(21)15(19)12-5-3-4-6-13(12)16(17)20/h3-8,18,21H,1-2H3
InChIKey
WWCSFRRQCULQOK-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

282.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.5
[M+Na]+ 305.07842 176.3
[M+NH4]+ 300.12302 171.6
[M+K]+ 321.05236 170.0
[M-H]- 281.08192 165.5
[M+Na-2H]- 303.06387 169.2
[M]+ 282.08865 165.4
[M]- 282.08975 165.4
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