CID 59846969

Schembl12749571

Structural Information

Molecular Formula
C15H12O5
SMILES
C=C(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H12O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-7,16-19H,1H2
InChIKey
YQJWBMJVIIHDFM-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 160.3
[M+Na]+ 295.05770 172.4
[M+NH4]+ 290.10230 165.7
[M+K]+ 311.03164 168.6
[M-H]- 271.06120 161.2
[M+Na-2H]- 293.04315 165.3
[M]+ 272.06793 162.0
[M]- 272.06903 162.0
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