CID 3054500

Brn 2300941

Structural Information

Molecular Formula
C19H16O4
SMILES
C1CCC2=CC(=C(C=C2C1)C3(C(=O)C4=CC=CC=C4C3=O)O)O
InChI
InChI=1S/C19H16O4/c20-16-10-12-6-2-1-5-11(12)9-15(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
LIHBOJAEHCOVJI-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(3-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]+ 309.11214 169.7
[M+Na]+ 331.09408 178.7
[M-H]- 307.09758 176.1
[M+NH4]+ 326.13868 189.1
[M+K]+ 347.06802 172.7
[M+H-H2O]+ 291.10212 163.4
[M+HCOO]- 353.10306 186.3
[M+CH3COO]- 367.11871 181.0
[M+Na-2H]- 329.07953 172.5
[M]+ 308.10431 167.6
[M]- 308.10541 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.