CID 24208

7559-46-8

Structural Information

Molecular Formula
C9H20O2S2
SMILES
CCCCCCCCS(=O)(=O)SC
InChI
InChI=1S/C9H20O2S2/c1-3-4-5-6-7-8-9-13(10,11)12-2/h3-9H2,1-2H3
InChIKey
FFFFGWGAXPYMFC-UHFFFAOYSA-N
Compound name
1-methylsulfanylsulfonyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09047 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.097746 149.7
[M+Na]+ 247.079688 156.1
[M-H]- 223.083194 149.4
[M+NH4]+ 242.124293 168.6
[M+K]+ 263.053628 152.3
[M+H-H2O]+ 207.087730 144.2
[M+HCOO]- 269.088671 160.5
[M+CH3COO]- 283.104321 187.5
[M+Na-2H]- 245.065136 149.9
[M]+ 224.08992142 155.6
[M]- 224.09101858 155.6
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.