CID 6435420

1,3-dithiolane, 2,4-dimethyl-2-styryl-

Structural Information

Molecular Formula
C13H16S2
SMILES
CC1=CC(=C(C=C1)/C=C/C2SCCS2)C
InChI
InChI=1S/C13H16S2/c1-10-3-4-12(11(2)9-10)5-6-13-14-7-8-15-13/h3-6,9,13H,7-8H2,1-2H3/b6-5+
InChIKey
JXRTZSAHWJTXMC-AATRIKPKSA-N
Compound name
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06934 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07662 151.3
[M+Na]+ 259.05856 159.7
[M-H]- 235.06206 158.0
[M+NH4]+ 254.10316 172.2
[M+K]+ 275.03250 154.2
[M+H-H2O]+ 219.06660 145.9
[M+HCOO]- 281.06754 163.7
[M+CH3COO]- 295.08319 163.8
[M+Na-2H]- 257.04401 148.9
[M]+ 236.06879 151.7
[M]- 236.06989 151.7
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.