CID 6474896

3,4-dihydroxychalcone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

124
Patents

240.07864 Da
Monoisotopic Mass

3.4
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