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]+ 267.10158 158.9
[M+Na]+ 289.08352 167.1
[M-H]- 265.08702 168.6
[M+NH4]+ 284.12812 175.0
[M+K]+ 305.05746 163.5
[M+H-H2O]+ 249.09156 151.7
[M+HCOO]- 311.09250 181.5
[M+CH3COO]- 325.10815 171.8
[M+Na-2H]- 287.06897 162.4
[M]+ 266.09375 159.3
[M]- 266.09485 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.