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]+ 229.02959 144.3
[M+Na]+ 251.01153 152.7
[M-H]- 227.01503 145.4
[M+NH4]+ 246.05613 163.9
[M+K]+ 266.98547 150.5
[M+H-H2O]+ 211.01957 141.2
[M+HCOO]- 273.02051 155.4
[M+CH3COO]- 287.03616 184.0
[M+Na-2H]- 248.99698 148.0
[M]+ 228.02176 151.7
[M]- 228.02286 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.