CID 378316

P-xylylenebis(tetrahydrothiophenium chloride)

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

38
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 168.3
[M+Na]+ 303.12118 173.2
[M-H]- 279.12468 177.5
[M+NH4]+ 298.16578 187.5
[M+K]+ 319.09512 158.4
[M+H-H2O]+ 263.12922 167.6
[M+HCOO]- 325.13016 178.6
[M+CH3COO]- 339.14581 183.9
[M+Na-2H]- 301.10663 167.3
[M]+ 280.13141 162.9
[M]- 280.13251 162.9
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