CID 119056804

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

Structural Information

Molecular Formula

C₆H₉ClO₄S

SMILES

COC(=O)C1(CC1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H9ClO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3

InChIKey

LTJAEKFDGQPHKT-UHFFFAOYSA-N

Compound name

methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.99101 Da
Monoisotopic Mass: 0.6
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]+	212.998286	136.8
[M+Na]+	234.980228	147.0
[M-H]-	210.983734	141.8
[M+NH4]+	230.024833	153.7
[M+K]+	250.954168	144.4
[M+H-H2O]+	194.988270	133.7
[M+HCOO]-	256.989211	149.7
[M+CH3COO]-	271.004861	182.1
[M+Na-2H]-	232.965676	142.0
[M]+	211.99046142	145.6
[M]-	211.99155858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.