CID 5355383

Brn 1645283

Structural Information

Molecular Formula
C13H10O4
SMILES
C1C(=C(C(=O)O1)O)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H10O4/c14-11(10-8-17-13(16)12(10)15)7-6-9-4-2-1-3-5-9/h1-7,15H,8H2/b7-6+
InChIKey
VBUJPOUUFUPHLI-VOTSOKGWSA-N
Compound name
4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 149.8
[M+Na]+ 253.04712 161.4
[M+NH4]+ 248.09172 156.5
[M+K]+ 269.02106 158.1
[M-H]- 229.05062 152.7
[M+Na-2H]- 251.03257 154.9
[M]+ 230.05735 152.0
[M]- 230.05845 152.0
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.