CID 7433481

2-(2-(1,1'-biphenyl)-4-yl-2-oxoethoxy)benzonitrile

Structural Information

Molecular Formula
C21H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC3=CC=CC=C3C#N
InChI
InChI=1S/C21H15NO2/c22-14-19-8-4-5-9-21(19)24-15-20(23)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13H,15H2
InChIKey
RIJIWVQYFPUVMM-UHFFFAOYSA-N
Compound name
2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1103 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11758 180.8
[M+Na]+ 336.09952 190.2
[M-H]- 312.10302 187.9
[M+NH4]+ 331.14412 192.8
[M+K]+ 352.07346 182.1
[M+H-H2O]+ 296.10756 165.1
[M+HCOO]- 358.10850 199.6
[M+CH3COO]- 372.12415 190.1
[M+Na-2H]- 334.08497 183.5
[M]+ 313.10975 176.1
[M]- 313.11085 176.1
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.