CID 137951713

(2-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
CC1(COCCO1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S/c1-6(5-12(7,8)9)4-10-2-3-11-6/h2-5H2,1H3
InChIKey
NWNAWYKLZDGFOR-UHFFFAOYSA-N
Compound name
(2-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00665 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013926 137.1
[M+Na]+ 236.995868 144.9
[M-H]- 212.999374 142.2
[M+NH4]+ 232.040473 156.3
[M+K]+ 252.969808 145.3
[M+H-H2O]+ 197.003910 134.2
[M+HCOO]- 259.004851 146.8
[M+CH3COO]- 273.020501 177.7
[M+Na-2H]- 234.981316 144.9
[M]+ 214.00610142 141.0
[M]- 214.00719858 141.0
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.