CID 71432826

Methyl 5-(chlorosulfonyl)pentanoate

Structural Information

Molecular Formula

C₆H₁₁ClO₄S

SMILES

COC(=O)CCCCS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H2,1H3

InChIKey

IECLVGBBQICKPG-UHFFFAOYSA-N

Compound name

methyl 5-chlorosulfonylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.00665 Da
Monoisotopic Mass: 0.9
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]+	215.01393	144.3
[M+Na]+	236.99587	153.5
[M+NH4]+	232.04047	150.7
[M+K]+	252.96981	147.5
[M-H]-	212.99937	141.4
[M+Na-2H]-	234.98132	145.8
[M]+	214.00610	145.3
[M]-	214.00720	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe