CID 16642486

Methyl 3-(chlorosulfonyl)-2-methylpropanoate

Structural Information

Molecular Formula
C5H9ClO4S
SMILES
CC(CS(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C5H9ClO4S/c1-4(5(7)10-2)3-11(6,8)9/h4H,3H2,1-2H3
InChIKey
LFTQHJQRKFCQQE-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

199.99101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998286 134.7
[M+Na]+ 222.980228 143.3
[M-H]- 198.983734 135.9
[M+NH4]+ 218.024833 155.2
[M+K]+ 238.954168 141.6
[M+H-H2O]+ 182.988270 131.6
[M+HCOO]- 244.989211 146.9
[M+CH3COO]- 259.004861 178.5
[M+Na-2H]- 220.965676 137.3
[M]+ 199.99046142 141.3
[M]- 199.99155858 141.3
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