CID 2732543

1h-indene-1,3(2h)-dione, 2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)-

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=CC(=C(C(=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)C
InChI
InChI=1S/C17H14O4/c1-9-7-10(2)14(18)13(8-9)17(21)15(19)11-5-3-4-6-12(11)16(17)20/h3-8,18,21H,1-2H3
InChIKey
JPWNAWMYTQWNBQ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-3,5-dimethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 160.8
[M+Na]+ 305.078418 172.3
[M-H]- 281.081924 167.6
[M+NH4]+ 300.123023 181.1
[M+K]+ 321.052358 167.2
[M+H-H2O]+ 265.086460 155.8
[M+HCOO]- 327.087401 181.5
[M+CH3COO]- 341.103051 197.5
[M+Na-2H]- 303.063866 163.4
[M]+ 282.08865142 162.7
[M]- 282.08974858 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

literature stripe

Patent stripe

No patent data available for this compound.