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]+ 295.13286 165.6
[M+Na]+ 317.11480 171.8
[M-H]- 293.11830 173.7
[M+NH4]+ 312.15940 181.2
[M+K]+ 333.08874 168.0
[M+H-H2O]+ 277.12284 157.0
[M+HCOO]- 339.12378 180.5
[M+CH3COO]- 353.13943 176.3
[M+Na-2H]- 315.10025 169.9
[M]+ 294.12503 161.5
[M]- 294.12613 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.