CID 2386059

Ec 606-793-5

Structural Information

Molecular Formula

C₁₅H₁₄ClNO

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCl

InChI

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

InChIKey

YZCYKOPNFLUUIN-UHFFFAOYSA-N

Compound name

N-(2-benzylphenyl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 259.0764 Da
Monoisotopic Mass: 3.1
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	157.9
[M+Na]+	282.06562	165.0
[M-H]-	258.06912	164.2
[M+NH4]+	277.11022	175.0
[M+K]+	298.03956	159.3
[M+H-H2O]+	242.07366	150.9
[M+HCOO]-	304.07460	177.8
[M+CH3COO]-	318.09025	196.1
[M+Na-2H]-	280.05107	163.3
[M]+	259.07585	159.3
[M]-	259.07695	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe