CID 354779

1-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C16H16O4/c1-19-12-5-3-11(4-6-12)9-15(17)14-8-7-13(20-2)10-16(14)18/h3-8,10,18H,9H2,1-2H3
InChIKey
DVGGZCXEGWXMKZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

272.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.4
[M+Na]+ 295.09408 168.1
[M-H]- 271.09758 166.2
[M+NH4]+ 290.13868 176.0
[M+K]+ 311.06802 165.3
[M+H-H2O]+ 255.10212 152.9
[M+HCOO]- 317.10306 182.6
[M+CH3COO]- 331.11871 197.2
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 163.9
[M]- 272.10541 163.9
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