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]+ 200.99829 135.1
[M+Na]+ 222.98023 144.4
[M-H]- 198.98373 136.5
[M+NH4]+ 218.02483 155.8
[M+K]+ 238.95417 142.6
[M+H-H2O]+ 182.98827 132.4
[M+HCOO]- 244.98921 146.9
[M+CH3COO]- 259.00486 178.0
[M+Na-2H]- 220.96568 139.8
[M]+ 199.99046 141.8
[M]- 199.99156 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.