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 176.1
[M+Na]+ 339.13555 180.9
[M-H]- 315.13905 188.9
[M+NH4]+ 334.18015 186.5
[M+K]+ 355.10949 177.9
[M+H-H2O]+ 299.14359 165.7
[M+HCOO]- 361.14453 194.4
[M+CH3COO]- 375.16018 186.5
[M+Na-2H]- 337.12100 181.1
[M]+ 316.14578 172.8
[M]- 316.14688 172.8
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