CID 146050056

(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO4S
SMILES
CC1(C(OCCO1)CS(=O)(=O)Cl)C
InChI
InChI=1S/C7H13ClO4S/c1-7(2)6(5-13(8,9)10)11-3-4-12-7/h6H,3-5H2,1-2H3
InChIKey
IOZAAAGPAVCHCL-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02231 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.029586 140.7
[M+Na]+ 251.011528 149.0
[M-H]- 227.015034 145.9
[M+NH4]+ 246.056133 159.7
[M+K]+ 266.985468 149.1
[M+H-H2O]+ 211.019570 137.9
[M+HCOO]- 273.020511 150.1
[M+CH3COO]- 287.036161 181.9
[M+Na-2H]- 248.996976 147.5
[M]+ 228.02176142 145.4
[M]- 228.02285858 145.4
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.