CID 24255476

Ethyl 3-(chlorosulfonyl)-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C7H13ClO4S
SMILES
CCOC(=O)C(C)(C)CS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO4S/c1-4-12-6(9)7(2,3)5-13(8,10)11/h4-5H2,1-3H3
InChIKey
QYDVIQBFRWMGLI-UHFFFAOYSA-N
Compound name
ethyl 3-chlorosulfonyl-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.029586 144.3
[M+Na]+ 251.011528 152.7
[M-H]- 227.015034 145.4
[M+NH4]+ 246.056133 163.9
[M+K]+ 266.985468 150.5
[M+H-H2O]+ 211.019570 141.2
[M+HCOO]- 273.020511 155.4
[M+CH3COO]- 287.036161 184.0
[M+Na-2H]- 248.996976 148.0
[M]+ 228.02176142 151.7
[M]- 228.02285858 151.7
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.