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]+ 212.99829 137.1
[M+Na]+ 234.98023 146.9
[M-H]- 210.98373 141.9
[M+NH4]+ 230.02483 152.2
[M+K]+ 250.95417 143.3
[M+H-H2O]+ 194.98827 132.5
[M+HCOO]- 256.98921 150.5
[M+CH3COO]- 271.00486 182.5
[M+Na-2H]- 232.96568 140.8
[M]+ 211.99046 145.5
[M]- 211.99156 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.