CID 2221619

3-chloro-4-methoxy-n-phenylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)Cl

InChI

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

InChIKey

HOIKIUBSUHYLAN-UHFFFAOYSA-N

Compound name

3-chloro-4-methoxy-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.05566 Da
Monoisotopic Mass: 3.5
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

No literature data available for this compound.

Patent stripe

patents stripe