CID 568919

2,4,6-triphenyl-1,3-dioxane

Structural Information

Molecular Formula
C22H20O2
SMILES
C1C(OC(OC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20O2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKey
JISOWUQFKXKMNL-UHFFFAOYSA-N
Compound name
2,4,6-triphenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

316.14633 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15361 176.7
[M+Na]+ 339.13555 194.8
[M+NH4]+ 334.18015 186.9
[M+K]+ 355.10949 184.7
[M-H]- 315.13905 189.4
[M+Na-2H]- 337.12100 189.3
[M]+ 316.14578 183.4
[M]- 316.14688 183.4
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

No patent data available for this compound.