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]+ 215.01393 137.1
[M+Na]+ 236.99587 144.9
[M-H]- 212.99937 142.2
[M+NH4]+ 232.04047 156.3
[M+K]+ 252.96981 145.3
[M+H-H2O]+ 197.00391 134.2
[M+HCOO]- 259.00485 146.8
[M+CH3COO]- 273.02050 177.7
[M+Na-2H]- 234.98132 144.9
[M]+ 214.00610 141.0
[M]- 214.00720 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.