CID 16641360

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

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
CC(C)(CS(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C6H11ClO4S/c1-6(2,5(8)11-3)4-12(7,9)10/h4H2,1-3H3
InChIKey
CGHRVMRGPGBQMI-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.00665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013926 139.7
[M+Na]+ 236.995868 148.6
[M-H]- 212.999374 141.0
[M+NH4]+ 232.040473 159.9
[M+K]+ 252.969808 146.6
[M+H-H2O]+ 197.003910 136.8
[M+HCOO]- 259.004851 151.2
[M+CH3COO]- 273.020501 181.0
[M+Na-2H]- 234.981316 143.9
[M]+ 214.00610142 146.7
[M]- 214.00719858 146.7
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

patents stripe