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]+ 212.99829 132.2
[M+Na]+ 234.98023 138.8
[M-H]- 210.98373 135.9
[M+NH4]+ 230.02483 147.3
[M+K]+ 250.95417 139.8
[M+H-H2O]+ 194.98827 124.4
[M+HCOO]- 256.98921 143.5
[M+CH3COO]- 271.00486 181.7
[M+Na-2H]- 232.96568 136.9
[M]+ 211.99046 145.6
[M]- 211.99156 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.