CID 22492437

Ethyl 2-(chlorosulfonyl)pentanoate

Structural Information

Molecular Formula

C₇H₁₃ClO₄S

SMILES

CCCC(C(=O)OCC)S(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO4S/c1-3-5-6(13(8,10)11)7(9)12-4-2/h6H,3-5H2,1-2H3

InChIKey

UULXWMAWSZFCGF-UHFFFAOYSA-N

Compound name

ethyl 2-chlorosulfonylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.02231 Da
Monoisotopic Mass: 2.0
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]+	229.029586	143.8
[M+Na]+	251.011528	151.7
[M-H]-	227.015034	144.7
[M+NH4]+	246.056133	163.3
[M+K]+	266.985468	149.5
[M+H-H2O]+	211.019570	140.4
[M+HCOO]-	273.020511	155.5
[M+CH3COO]-	287.036161	184.5
[M+Na-2H]-	248.996976	145.5
[M]+	228.02176142	151.2
[M]-	228.02285858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.