CID 3054444

Brn 2298448

Structural Information

Molecular Formula
C18H14O4
SMILES
C1CC2=CC(=C(C=C2C1)O)C3(C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C18H14O4/c19-15-9-11-5-3-4-10(11)8-14(15)18(22)16(20)12-6-1-2-7-13(12)17(18)21/h1-2,6-9,19,22H,3-5H2
InChIKey
PZOVMPJRSSITFW-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(6-hydroxy-2,3-dihydro-1H-inden-5-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

294.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 165.8
[M+Na]+ 317.07842 176.1
[M-H]- 293.08192 173.1
[M+NH4]+ 312.12302 187.7
[M+K]+ 333.05236 170.1
[M+H-H2O]+ 277.08646 161.1
[M+HCOO]- 339.08740 185.1
[M+CH3COO]- 353.10305 178.3
[M+Na-2H]- 315.06387 167.5
[M]+ 294.08865 165.7
[M]- 294.08975 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

patents stripe