CID 6022229

2',beta-dihydroxychalcone

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2O)/O
InChI
InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-10,16-17H/b14-10-
InChIKey
AOJIJXJCNKMEET-UVTDQMKNSA-N
Compound name
(Z)-3-hydroxy-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

240.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 153.1
[M+Na]+ 263.06786 159.2
[M-H]- 239.07136 157.1
[M+NH4]+ 258.11246 168.7
[M+K]+ 279.04180 154.9
[M+H-H2O]+ 223.07590 146.2
[M+HCOO]- 285.07684 173.2
[M+CH3COO]- 299.09249 186.7
[M+Na-2H]- 261.05331 156.5
[M]+ 240.07809 150.7
[M]- 240.07919 150.7
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.