CID 138987708

2168775-82-2

Structural Information

Molecular Formula

C₈H₁₃ClO₄S

SMILES

COC(=O)CC1CCC(C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H13ClO4S/c1-13-8(10)5-6-2-3-7(4-6)14(9,11)12/h6-7H,2-5H2,1H3

InChIKey

SUFPUZSNHGYFFL-UHFFFAOYSA-N

Compound name

methyl 2-(3-chlorosulfonylcyclopentyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.02231 Da
Monoisotopic Mass: 1.4
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]+	241.029586	150.3
[M+Na]+	263.011528	158.4
[M-H]-	239.015034	154.2
[M+NH4]+	258.056133	171.1
[M+K]+	278.985468	155.7
[M+H-H2O]+	223.019570	146.8
[M+HCOO]-	285.020511	162.1
[M+CH3COO]-	299.036161	184.0
[M+Na-2H]-	260.996976	150.5
[M]+	240.02176142	154.7
[M]-	240.02285858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.