CID 309594

N-benzyl-2-(3-chlorophenoxy)acetamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₂

SMILES

C1=CC=C(C=C1)CNC(=O)COC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H14ClNO2/c16-13-7-4-8-14(9-13)19-11-15(18)17-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,18)

InChIKey

VLBFKTXRVWSSDI-UHFFFAOYSA-N

Compound name

N-benzyl-2-(3-chlorophenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 275.07132 Da
Monoisotopic Mass: 3.4
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]+	276.07860	160.8
[M+Na]+	298.06054	167.9
[M-H]-	274.06404	167.1
[M+NH4]+	293.10514	177.2
[M+K]+	314.03448	162.8
[M+H-H2O]+	258.06858	153.6
[M+HCOO]-	320.06952	181.0
[M+CH3COO]-	334.08517	198.2
[M+Na-2H]-	296.04599	166.3
[M]+	275.07077	163.6
[M]-	275.07187	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe