CID 3054443

Brn 2298447

Structural Information

Molecular Formula
C18H14O4
SMILES
C1CC2=C(C1)C(=C(C=C2)C3(C(=O)C4=CC=CC=C4C3=O)O)O
InChI
InChI=1S/C18H14O4/c19-15-11-7-3-4-10(11)8-9-14(15)18(22)16(20)12-5-1-2-6-13(12)17(18)21/h1-2,5-6,8-9,19,22H,3-4,7H2
InChIKey
GSUOFEOBCWYYSN-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 165.8
[M+Na]+ 317.078418 176.1
[M-H]- 293.081924 173.1
[M+NH4]+ 312.123023 187.7
[M+K]+ 333.052358 170.1
[M+H-H2O]+ 277.086460 161.1
[M+HCOO]- 339.087401 185.1
[M+CH3COO]- 353.103051 178.3
[M+Na-2H]- 315.063866 167.5
[M]+ 294.08865142 165.7
[M]- 294.08974858 165.7
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

No patent data available for this compound.