CID 6434545

2-methyl-2-styryl-1,3-dithiolane

Structural Information

Molecular Formula
C12H14S2
SMILES
CC1(SCCS1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C12H14S2/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKey
QISXAAMXSFLABQ-BQYQJAHWSA-N
Compound name
2-methyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0537 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06098 147.8
[M+Na]+ 245.04292 155.7
[M-H]- 221.04642 154.1
[M+NH4]+ 240.08752 170.6
[M+K]+ 261.01686 150.8
[M+H-H2O]+ 205.05096 142.7
[M+HCOO]- 267.05190 160.5
[M+CH3COO]- 281.06755 160.3
[M+Na-2H]- 243.02837 148.5
[M]+ 222.05315 147.4
[M]- 222.05425 147.4
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.