CID 28738951

4-chloro-n-(4-hydroxyphenyl)-n-methylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

CN(C1=CC=C(C=C1)O)C(=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

ZOSWTWKEEKEOSC-UHFFFAOYSA-N

Compound name

4-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.05566 Da
Monoisotopic Mass: 2.6
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	155.8
[M+Na]+	284.044878	163.9
[M-H]-	260.048384	162.8
[M+NH4]+	279.089483	173.0
[M+K]+	300.018818	159.7
[M+H-H2O]+	244.052920	149.3
[M+HCOO]-	306.053861	175.3
[M+CH3COO]-	320.069511	197.2
[M+Na-2H]-	282.030326	159.9
[M]+	261.05511142	158.1
[M]-	261.05620858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.