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

6
Patents

214.00665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01393 139.7
[M+Na]+ 236.99587 148.6
[M-H]- 212.99937 141.0
[M+NH4]+ 232.04047 159.9
[M+K]+ 252.96981 146.6
[M+H-H2O]+ 197.00391 136.8
[M+HCOO]- 259.00485 151.2
[M+CH3COO]- 273.02050 181.0
[M+Na-2H]- 234.98132 143.9
[M]+ 214.00610 146.7
[M]- 214.00720 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