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]+ 241.02959 141.3
[M+Na]+ 263.01153 147.1
[M-H]- 239.01503 144.6
[M+NH4]+ 258.05613 155.3
[M+K]+ 278.98547 147.6
[M+H-H2O]+ 223.01957 133.1
[M+HCOO]- 285.02051 152.0
[M+CH3COO]- 299.03616 187.5
[M+Na-2H]- 260.99698 145.0
[M]+ 240.02176 155.4
[M]- 240.02286 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.