CID 131570601

Methyl 3-(chlorosulfonyl)-2-methylbutanoate

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
CC(C(C)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C6H11ClO4S/c1-4(6(8)11-3)5(2)12(7,9)10/h4-5H,1-3H3
InChIKey
FVMAVFNTQZIDFC-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01393 138.2
[M+Na]+ 236.99587 146.2
[M-H]- 212.99937 139.3
[M+NH4]+ 232.04047 158.2
[M+K]+ 252.96981 144.7
[M+H-H2O]+ 197.00391 135.1
[M+HCOO]- 259.00485 149.2
[M+CH3COO]- 273.02050 182.4
[M+Na-2H]- 234.98132 139.4
[M]+ 214.00610 144.6
[M]- 214.00720 144.6
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.