CID 6433

Sulfonethylmethane

Structural Information

Molecular Formula
C8H18O4S2
SMILES
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC
InChI
InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3
InChIKey
LKACJLUUJRMGFK-UHFFFAOYSA-N
Compound name
2,2-bis(ethylsulfonyl)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

40988
Patents

242.06465 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07193 152.9
[M+Na]+ 265.05387 160.1
[M-H]- 241.05737 152.8
[M+NH4]+ 260.09847 170.7
[M+K]+ 281.02781 157.1
[M+H-H2O]+ 225.06191 148.1
[M+HCOO]- 287.06285 161.8
[M+CH3COO]- 301.07850 187.6
[M+Na-2H]- 263.03932 156.1
[M]+ 242.06410 158.6
[M]- 242.06520 158.6
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.