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]+ 265.085916 158.2
[M+Na]+ 287.067858 166.8
[M-H]- 263.071364 168.0
[M+NH4]+ 282.112463 174.4
[M+K]+ 303.041798 162.6
[M+H-H2O]+ 247.075900 151.1
[M+HCOO]- 309.076841 181.0
[M+CH3COO]- 323.092491 171.2
[M+Na-2H]- 285.053306 161.7
[M]+ 264.07809142 157.9
[M]- 264.07918858 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.