CID 138991393

2309468-96-8

Structural Information

Molecular Formula

C₆H₉ClO₄S

SMILES

C1CC1C(=O)OCCS(=O)(=O)Cl

InChI

InChI=1S/C6H9ClO4S/c7-12(9,10)4-3-11-6(8)5-1-2-5/h5H,1-4H2

InChIKey

XDHNQRIYZLKVJP-UHFFFAOYSA-N

Compound name

2-chlorosulfonylethyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.99101 Da
Monoisotopic Mass: 0.7
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	145.2
[M+Na]+	234.98023	155.9
[M+NH4]+	230.02483	152.6
[M+K]+	250.95417	151.4
[M-H]-	210.98373	150.5
[M+Na-2H]-	232.96568	150.3
[M]+	211.99046	149.7
[M]-	211.99156	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.