CID 131424063

2-(1,4-dioxan-2-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
C1COC(CO1)CCS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S/c7-12(8,9)4-1-6-5-10-2-3-11-6/h6H,1-5H2
InChIKey
VGHNTASRZCVPIN-UHFFFAOYSA-N
Compound name
2-(1,4-dioxan-2-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.00665 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013926 139.3
[M+Na]+ 236.995868 146.3
[M-H]- 212.999374 144.0
[M+NH4]+ 232.040473 156.5
[M+K]+ 252.969808 146.2
[M+H-H2O]+ 197.003910 135.3
[M+HCOO]- 259.004851 149.0
[M+CH3COO]- 273.020501 178.2
[M+Na-2H]- 234.981316 145.3
[M]+ 214.00610142 142.7
[M]- 214.00719858 142.7
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

patents stripe