CID 119030843

Methyl 1-[(chlorosulfonyl)methyl]cyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H11ClO4S
SMILES
COC(=O)C1(CCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO4S/c1-12-6(9)7(3-2-4-7)5-13(8,10)11/h2-5H2,1H3
InChIKey
PMJPJASBFKSCII-UHFFFAOYSA-N
Compound name
methyl 1-(chlorosulfonylmethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01393 136.8
[M+Na]+ 248.99587 143.0
[M-H]- 224.99937 140.3
[M+NH4]+ 244.04047 151.3
[M+K]+ 264.96981 143.7
[M+H-H2O]+ 209.00391 128.7
[M+HCOO]- 271.00485 147.7
[M+CH3COO]- 285.02050 184.6
[M+Na-2H]- 246.98132 140.9
[M]+ 226.00610 150.5
[M]- 226.00720 150.5
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.