CID 54680478

4-hydroxy-6-[(e)-2-(4-hydroxyphenyl)ethenyl]-2h-pyran-2-one

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=O)O2)O)O
InChI
InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+
InChIKey
ORVQWHLMVLOZPX-ZZXKWVIFSA-N
Compound name
4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

50
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 146.9
[M+Na]+ 253.04712 156.5
[M-H]- 229.05062 152.7
[M+NH4]+ 248.09172 162.6
[M+K]+ 269.02106 153.2
[M+H-H2O]+ 213.05516 140.4
[M+HCOO]- 275.05610 169.0
[M+CH3COO]- 289.07175 183.7
[M+Na-2H]- 251.03257 153.4
[M]+ 230.05735 148.1
[M]- 230.05845 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe