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]+ 231.065176 148.2
[M+Na]+ 253.047118 156.1
[M-H]- 229.050624 154.6
[M+NH4]+ 248.091723 165.8
[M+K]+ 269.021058 153.8
[M+H-H2O]+ 213.055160 142.3
[M+HCOO]- 275.056101 170.3
[M+CH3COO]- 289.071751 185.0
[M+Na-2H]- 251.032566 151.3
[M]+ 230.05735142 148.8
[M]- 230.05844858 148.8
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.