CID 138991393

2309468-96-8

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
C1CC1C(=O)OCCS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c7-12(9,10)4-3-11-6(8)5-1-2-5/h5H,1-4H2
InChIKey
XDHNQRIYZLKVJP-UHFFFAOYSA-N
Compound name
2-chlorosulfonylethyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998286 137.1
[M+Na]+ 234.980228 146.9
[M-H]- 210.983734 141.9
[M+NH4]+ 230.024833 152.2
[M+K]+ 250.954168 143.3
[M+H-H2O]+ 194.988270 132.5
[M+HCOO]- 256.989211 150.5
[M+CH3COO]- 271.004861 182.5
[M+Na-2H]- 232.965676 140.8
[M]+ 211.99046142 145.5
[M]- 211.99155858 145.5
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.