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 158.2
[M+Na]+ 287.06786 166.8
[M-H]- 263.07136 168.0
[M+NH4]+ 282.11246 174.4
[M+K]+ 303.04180 162.6
[M+H-H2O]+ 247.07590 151.1
[M+HCOO]- 309.07684 181.0
[M+CH3COO]- 323.09249 171.2
[M+Na-2H]- 285.05331 161.7
[M]+ 264.07809 157.9
[M]- 264.07919 157.9
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.