CID 64513855

3-methylcyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

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

InChI

InChI=1S/C6H11ClO2S/c1-5-2-3-6(4-5)10(7,8)9/h5-6H,2-4H2,1H3

InChIKey

LAWPWRMFASOZBC-UHFFFAOYSA-N

Compound name

3-methylcyclopentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.01683 Da
Monoisotopic Mass: 2.1
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]+	183.024106	136.6
[M+Na]+	205.006048	145.9
[M-H]-	181.009554	140.8
[M+NH4]+	200.050653	160.0
[M+K]+	220.979988	142.8
[M+H-H2O]+	165.014090	133.4
[M+HCOO]-	227.015031	149.3
[M+CH3COO]-	241.030681	174.7
[M+Na-2H]-	202.991496	138.3
[M]+	182.01628142	138.7
[M]-	182.01737858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.