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

1
Patents

214.00665 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01393 139.3
[M+Na]+ 236.99587 146.3
[M-H]- 212.99937 144.0
[M+NH4]+ 232.04047 156.5
[M+K]+ 252.96981 146.2
[M+H-H2O]+ 197.00391 135.3
[M+HCOO]- 259.00485 149.0
[M+CH3COO]- 273.02050 178.2
[M+Na-2H]- 234.98132 145.3
[M]+ 214.00610 142.7
[M]- 214.00720 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