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

literature stripe

Patent stripe

patents stripe