CID 692233

2-chloro-n-phenethyl-benzamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNO

SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H14ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)

InChIKey

PLSUZSSOFMKWLH-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-phenylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 3
Patents: 259.0764 Da
Monoisotopic Mass: 2.8
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]+	260.08368	158.5
[M+Na]+	282.06562	173.6
[M+NH4]+	277.11022	167.9
[M+K]+	298.03956	164.4
[M-H]-	258.06912	164.0
[M+Na-2H]-	280.05107	168.6
[M]+	259.07585	162.6
[M]-	259.07695	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe