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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.07662	147.5
[M+Na]+	247.05856	159.8
[M+NH4]+	242.10316	158.6
[M+K]+	263.03250	150.0
[M-H]-	223.06206	152.9
[M+Na-2H]-	245.04401	153.5
[M]+	224.06879	152.0
[M]-	224.06989	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.