CID 205255

Sulfone, bis(2-(butylthio)ethyl)

Structural Information

Molecular Formula
C12H26O2S3
SMILES
CCCCSCCS(=O)(=O)CCSCCCC
InChI
InChI=1S/C12H26O2S3/c1-3-5-7-15-9-11-17(13,14)12-10-16-8-6-4-2/h3-12H2,1-2H3
InChIKey
KTFQVFCGWXDUGQ-UHFFFAOYSA-N
Compound name
1-[2-(2-butylsulfanylethylsulfonyl)ethylsulfanyl]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1095 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11678 167.7
[M+Na]+ 321.09872 172.2
[M-H]- 297.10222 165.7
[M+NH4]+ 316.14332 183.0
[M+K]+ 337.07266 165.4
[M+H-H2O]+ 281.10676 160.9
[M+HCOO]- 343.10770 171.3
[M+CH3COO]- 357.12335 201.5
[M+Na-2H]- 319.08417 165.3
[M]+ 298.10895 173.3
[M]- 298.11005 173.3
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

No patent data available for this compound.