CID 439528

Licodione

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2
InChIKey
QIEKMEBGIJSGGB-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

67
Patents

272.06848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 158.2
[M+Na]+ 295.057698 165.3
[M-H]- 271.061204 161.5
[M+NH4]+ 290.102303 172.1
[M+K]+ 311.031638 161.7
[M+H-H2O]+ 255.065740 151.4
[M+HCOO]- 317.066681 177.1
[M+CH3COO]- 331.082331 192.0
[M+Na-2H]- 293.043146 159.9
[M]+ 272.06793142 157.8
[M]- 272.06902858 157.8
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