CID 56923582

N-[3-(2-chloroacetamido)phenyl]benzamide

Structural Information

Molecular Formula

C₁₅H₁₃ClN₂O₂

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCl

InChI

InChI=1S/C15H13ClN2O2/c16-10-14(19)17-12-7-4-8-13(9-12)18-15(20)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)(H,18,20)

InChIKey

DWNHTHNQFOAYLP-UHFFFAOYSA-N

Compound name

N-[3-[(2-chloroacetyl)amino]phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.06656 Da
Monoisotopic Mass: 2.4
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]+	289.073836	164.3
[M+Na]+	311.055778	170.5
[M-H]-	287.059284	170.7
[M+NH4]+	306.100383	179.7
[M+K]+	327.029718	165.4
[M+H-H2O]+	271.063820	157.0
[M+HCOO]-	333.064761	184.8
[M+CH3COO]-	347.080411	202.6
[M+Na-2H]-	309.041226	169.0
[M]+	288.06601142	165.1
[M]-	288.06710858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.