CID 21993

2-phenyl-2-propyl-1,3-dithiolane

Structural Information

Molecular Formula
C12H16S2
SMILES
CCCC1(SCCS1)C2=CC=CC=C2
InChI
InChI=1S/C12H16S2/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey
LJFGHNLBEOVXBW-UHFFFAOYSA-N
Compound name
2-phenyl-2-propyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06934 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07662 146.8
[M+Na]+ 247.05856 158.1
[M+NH4]+ 242.10316 159.2
[M+K]+ 263.03250 146.2
[M-H]- 223.06206 151.9
[M+Na-2H]- 245.04401 155.2
[M]+ 224.06879 151.1
[M]- 224.06989 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.