CID 13963932

2'-hydroxyfurano[2'',3'':4',3']chalcone

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C=C2)OC=C3)O
InChI
InChI=1S/C17H12O3/c18-15(8-6-12-4-2-1-3-5-12)13-7-9-16-14(17(13)19)10-11-20-16/h1-11,19H/b8-6+
InChIKey
WXWGKIBMPDYPTH-SOFGYWHQSA-N
Compound name
(E)-1-(4-hydroxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.07864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 158.2
[M+Na]+ 287.06786 167.7
[M-H]- 263.07136 166.0
[M+NH4]+ 282.11246 175.6
[M+K]+ 303.04180 163.5
[M+H-H2O]+ 247.07590 151.7
[M+HCOO]- 309.07684 181.2
[M+CH3COO]- 323.09249 171.4
[M+Na-2H]- 285.05331 163.7
[M]+ 264.07809 161.1
[M]- 264.07919 161.1
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

No patent data available for this compound.