CID 28332310

3-chloro-n-cyclohexylaniline

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CCC(CC1)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2

InChIKey

ULFKZCXJMXVRKJ-UHFFFAOYSA-N

Compound name

3-chloro-N-cyclohexylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 209.09712 Da
Monoisotopic Mass: 4.3
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]+	210.104396	146.1
[M+Na]+	232.086338	151.4
[M-H]-	208.089844	151.6
[M+NH4]+	227.130943	165.1
[M+K]+	248.060278	146.6
[M+H-H2O]+	192.094380	139.8
[M+HCOO]-	254.095321	163.3
[M+CH3COO]-	268.110971	186.8
[M+Na-2H]-	230.071786	151.3
[M]+	209.09657142	142.0
[M]-	209.09766858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe