CID 145874712

2375262-24-9

Structural Information

Molecular Formula
C7H13ClO4S
SMILES
CC1(COC(CO1)CS(=O)(=O)Cl)C
InChI
InChI=1S/C7H13ClO4S/c1-7(2)5-11-6(3-12-7)4-13(8,9)10/h6H,3-5H2,1-2H3
InChIKey
RCLBFGZJNNWMMN-UHFFFAOYSA-N
Compound name
(5,5-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]+ 229.02959 140.7
[M+Na]+ 251.01153 149.0
[M-H]- 227.01503 145.9
[M+NH4]+ 246.05613 159.7
[M+K]+ 266.98547 149.1
[M+H-H2O]+ 211.01957 137.9
[M+HCOO]- 273.02051 150.1
[M+CH3COO]- 287.03616 181.9
[M+Na-2H]- 248.99698 147.5
[M]+ 228.02176 145.4
[M]- 228.02286 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.