CID 84705914

(1,1-dioxo-1lambda6-thian-4-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO4S2
SMILES
C1CS(=O)(=O)CCC1CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S2/c7-13(10,11)5-6-1-3-12(8,9)4-2-6/h6H,1-5H2
InChIKey
MONATWGUGVZNRL-UHFFFAOYSA-N
Compound name
(1,1-dioxothian-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.97873 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98601 144.6
[M+Na]+ 268.96795 152.7
[M-H]- 244.97145 147.9
[M+NH4]+ 264.01255 164.9
[M+K]+ 284.94189 148.5
[M+H-H2O]+ 228.97599 141.9
[M+HCOO]- 290.97693 150.3
[M+CH3COO]- 304.99258 181.9
[M+Na-2H]- 266.95340 148.0
[M]+ 245.97818 147.0
[M]- 245.97928 147.0
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.