CID 55022

83521-80-6

Structural Information

Molecular Formula
C11H14S2
SMILES
CC1CSC(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C11H14S2/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h3-6,9,11H,7H2,1-2H3
InChIKey
XBTKLPCVXRFQLT-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylphenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0537 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06098 142.9
[M+Na]+ 233.04292 155.1
[M+NH4]+ 228.08752 154.2
[M+K]+ 249.01686 145.3
[M-H]- 209.04642 148.3
[M+Na-2H]- 231.02837 149.4
[M]+ 210.05315 147.3
[M]- 210.05425 147.3
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.