CID 120098

28924-21-2

Structural Information

Molecular Formula
C22H20O3
SMILES
CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKey
KOJXGMJOTRYLBD-UHFFFAOYSA-N
Compound name
1-[3,5-bis(phenylmethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

332.14124 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 180.0
[M+Na]+ 355.13046 185.8
[M-H]- 331.13396 189.2
[M+NH4]+ 350.17506 192.8
[M+K]+ 371.10440 181.3
[M+H-H2O]+ 315.13850 170.0
[M+HCOO]- 377.13944 202.5
[M+CH3COO]- 391.15509 210.3
[M+Na-2H]- 353.11591 183.3
[M]+ 332.14069 182.5
[M]- 332.14179 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.