CID 340151

9-phenyl-3,4,5,6,7,9-hexahydro-2h-xanthene-1,8-dione

Structural Information

Molecular Formula
C19H18O3
SMILES
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4)C(=O)C1
InChI
InChI=1S/C19H18O3/c20-13-8-4-10-15-18(13)17(12-6-2-1-3-7-12)19-14(21)9-5-11-16(19)22-15/h1-3,6-7,17H,4-5,8-11H2
InChIKey
GRNGVFFDAIAPRQ-UHFFFAOYSA-N
Compound name
9-phenyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

294.12558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 165.6
[M+Na]+ 317.114798 171.8
[M-H]- 293.118304 173.7
[M+NH4]+ 312.159403 181.2
[M+K]+ 333.088738 168.0
[M+H-H2O]+ 277.122840 157.0
[M+HCOO]- 339.123781 180.5
[M+CH3COO]- 353.139431 176.3
[M+Na-2H]- 315.100246 169.9
[M]+ 294.12503142 161.5
[M]- 294.12612858 161.5
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.