CID 5811533

2,2',4'-trihydroxychalcone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

15
References

754
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 157.4
[M+Na]+ 279.06277 170.5
[M+NH4]+ 274.10737 163.9
[M+K]+ 295.03671 164.8
[M-H]- 255.06627 159.4
[M+Na-2H]- 277.04822 164.0
[M]+ 256.07300 159.7
[M]- 256.07410 159.7
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