CID 132342183

2137718-17-1

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c1-11-6(8)5-2-4(5)3-12(7,9)10/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
KDWRGMHUZCLABJ-RFZPGFLSSA-N
Compound name
trans-methyl (1R,2S)-2-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998286 136.2
[M+Na]+ 234.980228 146.7
[M-H]- 210.983734 141.3
[M+NH4]+ 230.024833 151.5
[M+K]+ 250.954168 143.0
[M+H-H2O]+ 194.988270 131.8
[M+HCOO]- 256.989211 149.4
[M+CH3COO]- 271.004861 183.6
[M+Na-2H]- 232.965676 139.3
[M]+ 211.99046142 144.9
[M]- 211.99155858 144.9
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.