CID 42607666

2'-methoxy-4'-hydroxydihydrochalcone

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=C(C=CC(=C1)O)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3
InChIKey
CSEOFFVAVSWEAR-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.10995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.7
[M+Na]+ 279.09917 172.8
[M+NH4]+ 274.14377 166.6
[M+K]+ 295.07311 165.5
[M-H]- 255.10267 162.4
[M+Na-2H]- 277.08462 167.1
[M]+ 256.10940 161.8
[M]- 256.11050 161.8
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

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