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 148.2
[M+Na]+ 253.04712 156.1
[M-H]- 229.05062 154.6
[M+NH4]+ 248.09172 165.8
[M+K]+ 269.02106 153.8
[M+H-H2O]+ 213.05516 142.3
[M+HCOO]- 275.05610 170.3
[M+CH3COO]- 289.07175 185.0
[M+Na-2H]- 251.03257 151.3
[M]+ 230.05735 148.8
[M]- 230.05845 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.