CID 761236

19513-80-5

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2OC
InChI
InChI=1S/C16H16O4/c1-18-13-9-7-12(8-10-13)14(17)11-20-16-6-4-3-5-15(16)19-2/h3-10H,11H2,1-2H3
InChIKey
XZENRLBGEKSCQB-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

272.10486 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.5
[M+Na]+ 295.09408 167.8
[M-H]- 271.09758 167.4
[M+NH4]+ 290.13868 176.5
[M+K]+ 311.06802 165.8
[M+H-H2O]+ 255.10212 152.5
[M+HCOO]- 317.10306 184.3
[M+CH3COO]- 331.11871 198.5
[M+Na-2H]- 293.07953 164.9
[M]+ 272.10431 165.4
[M]- 272.10541 165.4
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