CID 138991376

2309456-59-3

Structural Information

Molecular Formula

C₆H₉ClO₄S

SMILES

COC(=O)C(C1CC1)S(=O)(=O)Cl

InChI

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

InChIKey

GUBMBSUHMRKOIQ-UHFFFAOYSA-N

Compound name

methyl 2-chlorosulfonyl-2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.99101 Da
Monoisotopic Mass: 1.1
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	145.0
[M+Na]+	234.98023	155.4
[M+NH4]+	230.02483	152.3
[M+K]+	250.95417	151.7
[M-H]-	210.98373	150.2
[M+Na-2H]-	232.96568	149.9
[M]+	211.99046	149.5
[M]-	211.99156	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.