CID 10445922

3'-methyl-2',4',6'-trihydroxydihydrochalcone

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1=C(C(=C(C=C1O)O)C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C16H16O4/c1-10-13(18)9-14(19)15(16(10)20)12(17)8-7-11-5-3-2-4-6-11/h2-6,9,18-20H,7-8H2,1H3
InChIKey
NZHVJQHIGVGIBI-UHFFFAOYSA-N
Compound name
3-phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

272.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.9
[M+Na]+ 295.09408 168.7
[M-H]- 271.09758 164.4
[M+NH4]+ 290.13868 175.5
[M+K]+ 311.06802 164.3
[M+H-H2O]+ 255.10212 154.3
[M+HCOO]- 317.10306 180.1
[M+CH3COO]- 331.11871 193.8
[M+Na-2H]- 293.07953 162.5
[M]+ 272.10431 161.2
[M]- 272.10541 161.2
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