CID 14160611

4,4',alpha-trihydroxy-2'-methoxydihydrochalcone

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=C(C=CC(=C1)O)C(=O)C(CC2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,14,17-19H,8H2,1H3
InChIKey
FDKXRBOKHKHJHH-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 164.0
[M+Na]+ 311.08898 170.4
[M-H]- 287.09248 167.1
[M+NH4]+ 306.13358 177.3
[M+K]+ 327.06292 167.2
[M+H-H2O]+ 271.09702 156.9
[M+HCOO]- 333.09796 182.4
[M+CH3COO]- 347.11361 195.7
[M+Na-2H]- 309.07443 165.2
[M]+ 288.09921 164.7
[M]- 288.10031 164.7
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.