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 160.8
[M+Na]+ 305.07842 172.3
[M-H]- 281.08192 167.6
[M+NH4]+ 300.12302 181.1
[M+K]+ 321.05236 167.2
[M+H-H2O]+ 265.08646 155.8
[M+HCOO]- 327.08740 181.5
[M+CH3COO]- 341.10305 197.5
[M+Na-2H]- 303.06387 163.4
[M]+ 282.08865 162.7
[M]- 282.08975 162.7
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