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
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]+ 212.99829 136.2
[M+Na]+ 234.98023 146.7
[M-H]- 210.98373 141.3
[M+NH4]+ 230.02483 151.5
[M+K]+ 250.95417 143.0
[M+H-H2O]+ 194.98827 131.8
[M+HCOO]- 256.98921 149.4
[M+CH3COO]- 271.00486 183.6
[M+Na-2H]- 232.96568 139.3
[M]+ 211.99046 144.9
[M]- 211.99156 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.