CID 689040

4',6'-dimethoxy-2'-hydroxy-2-phenylacetophenone

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=CC=C2)O
InChI
InChI=1S/C16H16O4/c1-19-12-9-14(18)16(15(10-12)20-2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,18H,8H2,1-2H3
InChIKey
NIWDJRBUBVCKAV-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 160.4
[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