CID 64198683

2-(oxan-4-yloxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO4S
SMILES
C1COCCC1OCCS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO4S/c8-13(9,10)6-5-12-7-1-3-11-4-2-7/h7H,1-6H2
InChIKey
LBOCWMYGKIWJIG-UHFFFAOYSA-N
Compound name
2-(oxan-4-yloxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02231 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.029586 143.7
[M+Na]+ 251.011528 150.2
[M-H]- 227.015034 147.6
[M+NH4]+ 246.056133 161.6
[M+K]+ 266.985468 148.9
[M+H-H2O]+ 211.019570 139.4
[M+HCOO]- 273.020511 153.9
[M+CH3COO]- 287.036161 180.9
[M+Na-2H]- 248.996976 148.4
[M]+ 228.02176142 147.1
[M]- 228.02285858 147.1
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.