CID 221848

4018-82-0

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO2/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h2-9H,1H3,(H,16,17)

InChIKey

UVGPQLMHIRNFEE-UHFFFAOYSA-N

Compound name

4-chloro-N-(4-methoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 11
Patents: 261.05566 Da
Monoisotopic Mass: 3.2
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]+	262.062936	156.0
[M+Na]+	284.044878	164.5
[M-H]-	260.048384	163.0
[M+NH4]+	279.089483	173.3
[M+K]+	300.018818	159.7
[M+H-H2O]+	244.052920	149.3
[M+HCOO]-	306.053861	176.6
[M+CH3COO]-	320.069511	196.3
[M+Na-2H]-	282.030326	161.3
[M]+	261.05511142	158.9
[M]-	261.05620858	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe