CID 50987783

4-methylcyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₂S

SMILES

CC1CCC(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3

InChIKey

BJYALKVVPOIVFB-UHFFFAOYSA-N

Compound name

4-methylcyclohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 196.03249 Da
Monoisotopic Mass: 2.4
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	139.5
[M+Na]+	219.02171	150.4
[M+NH4]+	214.06631	148.5
[M+K]+	234.99565	142.8
[M-H]-	195.02521	140.5
[M+Na-2H]-	217.00716	143.8
[M]+	196.03194	142.0
[M]-	196.03304	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe