CID 121552292

2-(2-oxooxolan-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
C1COC(=O)C1CCS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c7-12(9,10)4-2-5-1-3-11-6(5)8/h5H,1-4H2
InChIKey
CXDASEZNJSHHGR-UHFFFAOYSA-N
Compound name
2-(2-oxooxolan-3-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99829 140.7
[M+Na]+ 234.98023 150.0
[M-H]- 210.98373 145.5
[M+NH4]+ 230.02483 161.4
[M+K]+ 250.95417 148.2
[M+H-H2O]+ 194.98827 137.6
[M+HCOO]- 256.98921 153.4
[M+CH3COO]- 271.00486 177.9
[M+Na-2H]- 232.96568 143.8
[M]+ 211.99046 145.4
[M]- 211.99156 145.4
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.