CID 38771

2-mesityl-1,3-dithiolane

Structural Information

Molecular Formula
C12H16S2
SMILES
CC1=CC(=C(C(=C1)C)C2SCCS2)C
InChI
InChI=1S/C12H16S2/c1-8-6-9(2)11(10(3)7-8)12-13-4-5-14-12/h6-7,12H,4-5H2,1-3H3
InChIKey
BZIGZWMJTGUUDI-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)-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 146.6
[M+Na]+ 247.05856 155.8
[M-H]- 223.06206 153.7
[M+NH4]+ 242.10316 168.2
[M+K]+ 263.03250 151.1
[M+H-H2O]+ 207.06660 141.5
[M+HCOO]- 269.06754 159.0
[M+CH3COO]- 283.08319 159.7
[M+Na-2H]- 245.04401 144.1
[M]+ 224.06879 147.8
[M]- 224.06989 147.8
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

No patent data available for this compound.