CID 42607671

2',4'-dihydroxy-3,4-methylenedioxydihydrochalcone

Structural Information

Molecular Formula
C16H14O5
SMILES
C1OC2=C(O1)C=C(C=C2)CCC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H14O5/c17-11-3-4-12(14(19)8-11)13(18)5-1-10-2-6-15-16(7-10)21-9-20-15/h2-4,6-8,17,19H,1,5,9H2
InChIKey
PMMLPVXGYVACMU-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.6
[M+Na]+ 309.07336 170.3
[M-H]- 285.07686 169.4
[M+NH4]+ 304.11796 177.0
[M+K]+ 325.04730 168.8
[M+H-H2O]+ 269.08140 156.5
[M+HCOO]- 331.08234 180.7
[M+CH3COO]- 345.09799 195.5
[M+Na-2H]- 307.05881 166.6
[M]+ 286.08359 165.2
[M]- 286.08469 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.