CID 2735404

Cyclopentylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

C1CCC(C1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h6H,1-5H2

InChIKey

FKELTSTWLHPFMJ-UHFFFAOYSA-N

Compound name

cyclopentylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 182.01683 Da
Monoisotopic Mass: 2.2
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]+	183.02411	137.6
[M+Na]+	205.00605	146.0
[M-H]-	181.00955	141.3
[M+NH4]+	200.05065	160.6
[M+K]+	220.97999	142.9
[M+H-H2O]+	165.01409	134.0
[M+HCOO]-	227.01503	150.3
[M+CH3COO]-	241.03068	173.6
[M+Na-2H]-	202.99150	139.7
[M]+	182.01628	139.2
[M]-	182.01738	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe