CID 139169

Diisobutyl sulfone

Structural Information

Molecular Formula
C8H18O2S
SMILES
CC(C)CS(=O)(=O)CC(C)C
InChI
InChI=1S/C8H18O2S/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
ULSLZZKKTPQNNJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2-methylpropylsulfonyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

178.10275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.110026 138.5
[M+Na]+ 201.091968 145.3
[M-H]- 177.095474 139.1
[M+NH4]+ 196.136573 159.3
[M+K]+ 217.065908 144.5
[M+H-H2O]+ 161.100010 134.1
[M+HCOO]- 223.100951 153.5
[M+CH3COO]- 237.116601 181.3
[M+Na-2H]- 199.077416 139.5
[M]+ 178.10220142 142.4
[M]- 178.10329858 142.4
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