CID 155970231

(6-methyl-1,4-dioxan-2-yl)methanesulfonylchloride

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
CC1COCC(O1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S/c1-5-2-10-3-6(11-5)4-12(7,8)9/h5-6H,2-4H2,1H3
InChIKey
GSSLMXCQEJUKEL-UHFFFAOYSA-N
Compound name
(6-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

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013926 138.8
[M+Na]+ 236.995868 146.8
[M-H]- 212.999374 144.0
[M+NH4]+ 232.040473 156.3
[M+K]+ 252.969808 146.6
[M+H-H2O]+ 197.003910 135.1
[M+HCOO]- 259.004851 148.5
[M+CH3COO]- 273.020501 179.3
[M+Na-2H]- 234.981316 144.3
[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

No patent data available for this compound.