CID 205254

Sulfone, bis(2-(ethylthio)ethyl)

Structural Information

Molecular Formula
C8H18O2S3
SMILES
CCSCCS(=O)(=O)CCSCC
InChI
InChI=1S/C8H18O2S3/c1-3-11-5-7-13(9,10)8-6-12-4-2/h3-8H2,1-2H3
InChIKey
XWIYVUKLHFASRH-UHFFFAOYSA-N
Compound name
1-ethylsulfanyl-2-(2-ethylsulfanylethylsulfonyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04689 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05417 152.1
[M+Na]+ 265.03611 158.3
[M-H]- 241.03961 150.9
[M+NH4]+ 260.08071 169.6
[M+K]+ 281.01005 152.5
[M+H-H2O]+ 225.04415 146.1
[M+HCOO]- 287.04509 156.9
[M+CH3COO]- 301.06074 190.2
[M+Na-2H]- 263.02156 151.2
[M]+ 242.04634 156.3
[M]- 242.04744 156.3
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.