CID 132509662

Piceatannolquinone

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC(=O)C(=O)C=C1/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C14H10O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-16H/b2-1+
InChIKey
PWSWEBOEALKFNG-OWOJBTEDSA-N
Compound name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 150.1
[M+Na]+ 265.04712 159.3
[M-H]- 241.05062 155.0
[M+NH4]+ 260.09172 166.6
[M+K]+ 281.02106 154.5
[M+H-H2O]+ 225.05516 143.7
[M+HCOO]- 287.05610 171.5
[M+CH3COO]- 301.07175 187.3
[M+Na-2H]- 263.03257 153.6
[M]+ 242.05735 149.3
[M]- 242.05845 149.3
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.