CID 12225107

Methyl 2-(chlorosulfonyl)-2-methylpropanoate

Structural Information

Molecular Formula
C5H9ClO4S
SMILES
CC(C)(C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO4S/c1-5(2,4(7)10-3)11(6,8)9/h1-3H3
InChIKey
ZZSYSZVZZVYGMV-UHFFFAOYSA-N
Compound name
methyl 2-chlorosulfonyl-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998286 135.1
[M+Na]+ 222.980228 144.4
[M-H]- 198.983734 136.5
[M+NH4]+ 218.024833 155.8
[M+K]+ 238.954168 142.6
[M+H-H2O]+ 182.988270 132.4
[M+HCOO]- 244.989211 146.9
[M+CH3COO]- 259.004861 178.0
[M+Na-2H]- 220.965676 139.8
[M]+ 199.99046142 141.8
[M]- 199.99155858 141.8
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.