CID 9448219

3,3'-dihydroxychalcone

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H12O3/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10,16-17H/b8-7+
InChIKey
UALHWTHYPDBXSN-BQYQJAHWSA-N
Compound name
(E)-1,3-bis(3-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

240.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.6
[M+Na]+ 263.06786 160.0
[M-H]- 239.07136 156.9
[M+NH4]+ 258.11246 168.6
[M+K]+ 279.04180 155.2
[M+H-H2O]+ 223.07590 145.8
[M+HCOO]- 285.07684 173.7
[M+CH3COO]- 299.09249 187.0
[M+Na-2H]- 261.05331 156.6
[M]+ 240.07809 151.3
[M]- 240.07919 151.3
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