CID 271103

2,3-diphenyl-1,4-dioxane

Structural Information

Molecular Formula
C16H16O2
SMILES
C1COC(C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
NDNXQPJDCKRZEK-UHFFFAOYSA-N
Compound name
2,3-diphenyl-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 154.6
[M+Na]+ 263.10426 170.7
[M+NH4]+ 258.14886 164.7
[M+K]+ 279.07820 162.4
[M-H]- 239.10776 164.7
[M+Na-2H]- 261.08971 165.2
[M]+ 240.11449 160.1
[M]- 240.11559 160.1
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