CID 54678437

Pulvinon

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C(C=C1)/C=C/2\C(=C(C(=O)O2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H12O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-11,18H/b14-11+
InChIKey
QCNFPAOZIJUOJQ-SDNWHVSQSA-N
Compound name
(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 159.6
[M+Na]+ 287.06786 174.7
[M+NH4]+ 282.11246 168.0
[M+K]+ 303.04180 168.9
[M-H]- 263.07136 166.4
[M+Na-2H]- 285.05331 168.6
[M]+ 264.07809 163.8
[M]- 264.07919 163.8
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.