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
9
Annotation Hits

360
References

83046
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 111.9
[M+Na]+ 116.99807 121.8
[M-H]- 93.001574 113.5
[M+NH4]+ 112.04267 136.2
[M+K]+ 132.97201 121.6
[M+H-H2O]+ 77.006110 108.5
[M+HCOO]- 139.00705 130.9
[M+CH3COO]- 153.02270 161.5
[M+Na-2H]- 114.98352 118.1
[M]+ 94.008301 114.8
[M]- 94.009399 114.8
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