CID 5214009

1-biphenyl-4-yl-2-phenoxy-ethanone

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC3=CC=CC=C3
InChI
InChI=1S/C20H16O2/c21-20(15-22-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14H,15H2
InChIKey
LHCZUWKAMIZIRI-UHFFFAOYSA-N
Compound name
2-phenoxy-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

288.11502 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 168.5
[M+Na]+ 311.10424 185.4
[M+NH4]+ 306.14884 177.9
[M+K]+ 327.07818 175.6
[M-H]- 287.10774 176.0
[M+Na-2H]- 309.08969 181.3
[M]+ 288.11447 173.3
[M]- 288.11557 173.3
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

patents stripe