CID 6474292

Chembl1256531

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H12O4/c16-11-7-5-10(15(19)9-11)6-8-14(18)12-3-1-2-4-13(12)17/h1-9,16-17,19H/b8-6+
InChIKey
ZLEFYDUXMWKPSH-SOFGYWHQSA-N
Compound name
(E)-3-(2,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

132
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.8
[M+Na]+ 279.06277 163.5
[M-H]- 255.06627 159.1
[M+NH4]+ 274.10737 170.6
[M+K]+ 295.03671 158.6
[M+H-H2O]+ 239.07081 149.2
[M+HCOO]- 301.07175 175.5
[M+CH3COO]- 315.08740 188.1
[M+Na-2H]- 277.04822 158.6
[M]+ 256.07300 154.5
[M]- 256.07410 154.5
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