CID 3871475

Cyclohexylmethane sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₂S

SMILES

C1CCC(CC1)CS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2

InChIKey

BNZZPMGQCWZOPS-UHFFFAOYSA-N

Compound name

cyclohexylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 446
Patents: 196.03249 Da
Monoisotopic Mass: 2.8
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]+	197.03977	138.6
[M+Na]+	219.02171	145.3
[M-H]-	195.02521	141.8
[M+NH4]+	214.06631	159.1
[M+K]+	234.99565	142.0
[M+H-H2O]+	179.02975	134.6
[M+HCOO]-	241.03069	149.0
[M+CH3COO]-	255.04634	176.8
[M+Na-2H]-	217.00716	141.8
[M]+	196.03194	138.5
[M]-	196.03304	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe