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]+ 287.091416 162.6
[M+Na]+ 309.073358 170.3
[M-H]- 285.076864 169.4
[M+NH4]+ 304.117963 177.0
[M+K]+ 325.047298 168.8
[M+H-H2O]+ 269.081400 156.5
[M+HCOO]- 331.082341 180.7
[M+CH3COO]- 345.097991 195.5
[M+Na-2H]- 307.058806 166.6
[M]+ 286.08359142 165.2
[M]- 286.08468858 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.