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
2
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 158.3
[M+Na]+ 295.05770 165.9
[M-H]- 271.06120 160.6
[M+NH4]+ 290.10230 171.8
[M+K]+ 311.03164 161.6
[M+H-H2O]+ 255.06574 152.0
[M+HCOO]- 317.06668 175.6
[M+CH3COO]- 331.08233 191.2
[M+Na-2H]- 293.04315 158.8
[M]+ 272.06793 156.5
[M]- 272.06903 156.5
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.