CID 378316

52547-07-6

Structural Information

Molecular Formula
C16H24S2
SMILES
C1CC[S+](C1)CC2=CC=C(C=C2)C[S+]3CCCC3
InChI
InChI=1S/C16H24S2/c1-2-10-17(9-1)13-15-5-7-16(8-6-15)14-18-11-3-4-12-18/h5-8H,1-4,9-14H2/q+2
InChIKey
WMQVVIMZECUMEN-UHFFFAOYSA-N
Compound name
1-[[4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

280.13196 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13924 154.0
[M+Na]+ 303.12118 167.7
[M+NH4]+ 298.16578 167.2
[M+K]+ 319.09512 160.5
[M-H]- 279.12468 163.7
[M+Na-2H]- 301.10663 162.5
[M]+ 280.13141 160.3
[M]- 280.13251 160.3
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

patents stripe