CID 225461

N-cyclohexyl 4-chlorobenzamide

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

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

InChI

InChI=1S/C13H16ClNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,15,16)

InChIKey

KSXFAESIEUQWLY-UHFFFAOYSA-N

Compound name

4-chloro-N-cyclohexylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 12
Patents: 237.09204 Da
Monoisotopic Mass: 3.6
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]+	238.09932	152.9
[M+Na]+	260.08126	165.5
[M+NH4]+	255.12586	162.4
[M+K]+	276.05520	157.5
[M-H]-	236.08476	157.8
[M+Na-2H]-	258.06671	160.8
[M]+	237.09149	156.3
[M]-	237.09259	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe