CID 69014

Dibutyl sulfone

Structural Information

Molecular Formula
C8H18O2S
SMILES
CCCCS(=O)(=O)CCCC
InChI
InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
InChIKey
AIDFJGKWTOULTC-UHFFFAOYSA-N
Compound name
1-butylsulfonylbutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

12948
Patents

178.10275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11003 139.2
[M+Na]+ 201.09197 146.4
[M-H]- 177.09547 139.5
[M+NH4]+ 196.13657 160.1
[M+K]+ 217.06591 144.7
[M+H-H2O]+ 161.10001 134.5
[M+HCOO]- 223.10095 156.2
[M+CH3COO]- 237.11660 179.7
[M+Na-2H]- 199.07742 142.3
[M]+ 178.10220 144.3
[M]- 178.10330 144.3
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