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

3
Patents

240.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.9
[M+Na]+ 263.104258 159.1
[M-H]- 239.107764 164.1
[M+NH4]+ 258.148863 167.9
[M+K]+ 279.078198 157.9
[M+H-H2O]+ 223.112300 145.5
[M+HCOO]- 285.113241 173.3
[M+CH3COO]- 299.128891 165.9
[M+Na-2H]- 261.089706 161.0
[M]+ 240.11449142 151.1
[M]- 240.11558858 151.1
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