CID 122163353

Methyl 1-(chlorosulfonyl)cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
COC(=O)C1(CCC1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c1-11-5(8)6(3-2-4-6)12(7,9)10/h2-4H2,1H3
InChIKey
AXYZTBRKOJPIOU-UHFFFAOYSA-N
Compound name
methyl 1-chlorosulfonylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.998286 132.2
[M+Na]+ 234.980228 138.8
[M-H]- 210.983734 135.9
[M+NH4]+ 230.024833 147.3
[M+K]+ 250.954168 139.8
[M+H-H2O]+ 194.988270 124.4
[M+HCOO]- 256.989211 143.5
[M+CH3COO]- 271.004861 181.7
[M+Na-2H]- 232.965676 136.9
[M]+ 211.99046142 145.6
[M]- 211.99155858 145.6
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.