CID 54685119

2(5h)-furanone, 4-hydroxy-3-phenyl-5-(phenylmethyl)-

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C(C=C1)CC2C(=C(C(=O)O2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-10,14,18H,11H2
InChIKey
FQKDKWYOHVWMSH-UHFFFAOYSA-N
Compound name
2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.9
[M+Na]+ 289.083518 167.1
[M-H]- 265.087024 168.6
[M+NH4]+ 284.128123 175.0
[M+K]+ 305.057458 163.5
[M+H-H2O]+ 249.091560 151.7
[M+HCOO]- 311.092501 181.5
[M+CH3COO]- 325.108151 171.8
[M+Na-2H]- 287.068966 162.4
[M]+ 266.09375142 159.3
[M]- 266.09484858 159.3
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.