CID 790403

2,4-dichloro-n-(2-pyridinyl)benzamide

Structural Information

Molecular Formula

C₁₂H₈Cl₂N₂O

SMILES

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

InChI

InChI=1S/C12H8Cl2N2O/c13-8-4-5-9(10(14)7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17)

InChIKey

LSLXBZDDOIFEFO-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-pyridin-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.00137 Da
Monoisotopic Mass: 3.3
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]+	267.008646	153.7
[M+Na]+	288.990588	163.4
[M-H]-	264.994094	158.6
[M+NH4]+	284.035193	169.9
[M+K]+	304.964528	157.1
[M+H-H2O]+	248.998630	147.0
[M+HCOO]-	310.999571	168.1
[M+CH3COO]-	325.015221	195.4
[M+Na-2H]-	286.976036	159.4
[M]+	266.00082142	156.1
[M]-	266.00191858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe