CID 14157883

2,4'-dihydroxy-4-methoxydihydrochalcone

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H16O4/c1-20-14-8-4-12(16(19)10-14)5-9-15(18)11-2-6-13(17)7-3-11/h2-4,6-8,10,17,19H,5,9H2,1H3
InChIKey
RORZHTZYZDZJKG-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

272.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.9
[M+Na]+ 295.09408 168.2
[M-H]- 271.09758 165.3
[M+NH4]+ 290.13868 175.8
[M+K]+ 311.06802 164.5
[M+H-H2O]+ 255.10212 153.7
[M+HCOO]- 317.10306 181.6
[M+CH3COO]- 331.11871 194.8
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 162.5
[M]- 272.10541 162.5
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