CID 6213

Dimethyl sulfone

Structural Information

Molecular Formula
C2H6O2S
SMILES
CS(=O)(=O)C
InChI
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
InChIKey
HHVIBTZHLRERCL-UHFFFAOYSA-N
Compound name
methylsulfonylmethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

359
References

70540
Patents

94.00885 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.016126 116.2
[M+Na]+ 116.99807 126.7
[M+NH4]+ 112.04267 124.7
[M+K]+ 132.97201 120.7
[M-H]- 93.001574 115.1
[M+Na-2H]- 114.98352 119.9
[M]+ 94.008301 117.8
[M]- 94.009399 117.8
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