CID 3061474

79295-23-1

Structural Information

Molecular Formula
C16H32O5S2
SMILES
CCCCCCCCCCCCS(=O)(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C16H32O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-23(20,21)16-14-22(18,19)13-15(16)17/h15-17H,2-14H2,1H3
InChIKey
IOISGVCNQGILBL-UHFFFAOYSA-N
Compound name
4-dodecylsulfonyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16913 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17641 185.2
[M+Na]+ 391.15835 189.9
[M-H]- 367.16185 185.4
[M+NH4]+ 386.20295 201.2
[M+K]+ 407.13229 184.6
[M+H-H2O]+ 351.16639 180.8
[M+HCOO]- 413.16733 193.0
[M+CH3COO]- 427.18298 207.8
[M+Na-2H]- 389.14380 183.1
[M]+ 368.16858 191.8
[M]- 368.16968 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.