CID 61726044

1909294-41-2

Structural Information

Molecular Formula

C₆H₉ClO₄S

SMILES

COC(=O)C1CC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClO4S/c1-11-6(8)4-2-5(3-4)12(7,9)10/h4-5H,2-3H2,1H3

InChIKey

WTZPZRVIYDYSNZ-UHFFFAOYSA-N

Compound name

methyl 3-chlorosulfonylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 211.99101 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.99829	131.3
[M+Na]+	234.98023	138.0
[M-H]-	210.98373	135.0
[M+NH4]+	230.02483	144.7
[M+K]+	250.95417	138.9
[M+H-H2O]+	194.98827	122.1
[M+HCOO]-	256.98921	142.5
[M+CH3COO]-	271.00486	183.3
[M+Na-2H]-	232.96568	133.8
[M]+	211.99046	144.6
[M]-	211.99156	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe