CID 138991225

2167540-69-2

Structural Information

Molecular Formula
C8H13ClO4S
SMILES
COC(=O)C1(CCC1)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO4S/c1-13-7(10)8(3-2-4-8)5-6-14(9,11)12/h2-6H2,1H3
InChIKey
WCUQUZOYSVNZMC-UHFFFAOYSA-N
Compound name
methyl 1-(2-chlorosulfonylethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.029586 141.3
[M+Na]+ 263.011528 147.1
[M-H]- 239.015034 144.6
[M+NH4]+ 258.056133 155.3
[M+K]+ 278.985468 147.6
[M+H-H2O]+ 223.019570 133.1
[M+HCOO]- 285.020511 152.0
[M+CH3COO]- 299.036161 187.5
[M+Na-2H]- 260.996976 145.0
[M]+ 240.02176142 155.4
[M]- 240.02285858 155.4
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.