CID 364841

2,2-diphenyl-1,3-dithiane

Structural Information

Molecular Formula
C16H16S2
SMILES
C1CSC(SC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16S2/c1-3-8-14(9-4-1)16(17-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
QHKITCYPPCMIOR-UHFFFAOYSA-N
Compound name
2,2-diphenyl-1,3-dithiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.06934 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07662 154.1
[M+Na]+ 295.05856 168.8
[M+NH4]+ 290.10316 167.4
[M+K]+ 311.03250 153.8
[M-H]- 271.06206 162.6
[M+Na-2H]- 293.04401 167.1
[M]+ 272.06879 160.1
[M]- 272.06989 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