CID 280434

3,4,5-triphenyl-2(3h)-furanone

Structural Information

Molecular Formula
C22H16O2
SMILES
C1=CC=C(C=C1)C2C(=C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H16O2/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,20H
InChIKey
VOVDJMDRGHNHQX-UHFFFAOYSA-N
Compound name
3,4,5-triphenyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11502 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.122296 173.2
[M+Na]+ 335.104238 181.1
[M-H]- 311.107744 186.9
[M+NH4]+ 330.148843 187.5
[M+K]+ 351.078178 176.2
[M+H-H2O]+ 295.112280 164.3
[M+HCOO]- 357.113221 196.5
[M+CH3COO]- 371.128871 185.5
[M+Na-2H]- 333.089686 176.2
[M]+ 312.11447142 172.9
[M]- 312.11556858 172.9
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.