CID 638277

2,2'-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/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+
InChIKey
KSHCTKZLHCSARH-MDZDMXLPSA-N
Compound name
(E)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

892
Patents

240.07864 Da
Monoisotopic Mass

3.5
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