CID 240593

Bis(ethylsulfonyl)methane

Structural Information

Molecular Formula
C5H12O4S2
SMILES
CCS(=O)(=O)CS(=O)(=O)CC
InChI
InChI=1S/C5H12O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-5H2,1-2H3
InChIKey
BRPOLULJMDJSOG-UHFFFAOYSA-N
Compound name
1-(ethylsulfonylmethylsulfonyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

804
Patents

200.0177 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.024976 140.0
[M+Na]+ 223.006918 148.4
[M-H]- 199.010424 140.4
[M+NH4]+ 218.051523 159.5
[M+K]+ 238.980858 145.5
[M+H-H2O]+ 183.014960 135.4
[M+HCOO]- 245.015901 151.3
[M+CH3COO]- 259.031551 178.3
[M+Na-2H]- 220.992366 143.2
[M]+ 200.01715142 145.2
[M]- 200.01824858 145.2
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

patents stripe