CID 75480350

Methyl 2-(chlorosulfonyl)cyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₃ClO₄S

SMILES

COC(=O)C1CCCCC1S(=O)(=O)Cl

InChI

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

InChIKey

LSDFFWKOHJPAMC-UHFFFAOYSA-N

Compound name

methyl 2-chlorosulfonylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.02231 Da
Monoisotopic Mass: 1.7
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]+	241.029586	146.6
[M+Na]+	263.011528	153.5
[M-H]-	239.015034	150.1
[M+NH4]+	258.056133	165.4
[M+K]+	278.985468	150.9
[M+H-H2O]+	223.019570	142.7
[M+HCOO]-	285.020511	156.3
[M+CH3COO]-	299.036161	184.4
[M+Na-2H]-	260.996976	148.2
[M]+	240.02176142	148.9
[M]-	240.02285858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.