CID 3054445

Brn 2300943

Structural Information

Molecular Formula
C19H16O4
SMILES
C1CCC2=C(C1)C=CC(=C2O)C3(C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C19H16O4/c20-16-12-6-2-1-5-11(12)9-10-15(16)19(23)17(21)13-7-3-4-8-14(13)18(19)22/h3-4,7-10,20,23H,1-2,5-6H2
InChIKey
LQUJXUOXKQADHE-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.112136 169.7
[M+Na]+ 331.094078 178.7
[M-H]- 307.097584 176.1
[M+NH4]+ 326.138683 189.1
[M+K]+ 347.068018 172.7
[M+H-H2O]+ 291.102120 163.4
[M+HCOO]- 353.103061 186.3
[M+CH3COO]- 367.118711 181.0
[M+Na-2H]- 329.079526 172.5
[M]+ 308.10431142 167.6
[M]- 308.10540858 167.6
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.