CID 18451501

2-chloro-4-cyclohexylaniline

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CCC(CC1)C2=CC(=C(C=C2)N)Cl

InChI

InChI=1S/C12H16ClN/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5,14H2

InChIKey

IKCSQPICSCUVTM-UHFFFAOYSA-N

Compound name

2-chloro-4-cyclohexylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 209.09712 Da
Monoisotopic Mass: 4.4
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]+	210.10440	145.6
[M+Na]+	232.08634	159.3
[M+NH4]+	227.13094	156.1
[M+K]+	248.06028	150.7
[M-H]-	208.08984	151.5
[M+Na-2H]-	230.07179	154.1
[M]+	209.09657	149.6
[M]-	209.09767	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe