CID 237554

Cyclohexanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₂S

SMILES

C1CCC(CC1)S(=O)(=O)Cl

InChI

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

InChIKey

MJWVCJUSRGLHFO-UHFFFAOYSA-N

Compound name

cyclohexanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1580
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]+	183.024106	134.1
[M+Na]+	205.006048	141.3
[M-H]-	181.009554	137.5
[M+NH4]+	200.050653	155.2
[M+K]+	220.979988	138.2
[M+H-H2O]+	165.014090	130.3
[M+HCOO]-	227.015031	144.8
[M+CH3COO]-	241.030681	173.8
[M+Na-2H]-	202.991496	137.8
[M]+	182.01628142	133.7
[M]-	182.01737858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe