CID 4339442

56354-57-5

Structural Information

Molecular Formula

C₁₂H₁₅ClO₂S

SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C12H15ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2

InChIKey

CREMYEDHKUWVTB-UHFFFAOYSA-N

Compound name

4-cyclohexylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 258.04813 Da
Monoisotopic Mass: 4.6
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]+	259.05541	154.6
[M+Na]+	281.03735	167.6
[M+NH4]+	276.08195	164.0
[M+K]+	297.01129	158.3
[M-H]-	257.04085	158.3
[M+Na-2H]-	279.02280	162.1
[M]+	258.04758	158.3
[M]-	258.04868	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe