CID 660590

N-(2,6-dichlorophenyl)cyclobutanecarboxamide

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO

SMILES

C1CC(C1)C(=O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C11H11Cl2NO/c12-8-5-2-6-9(13)10(8)14-11(15)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15)

InChIKey

JONFYQSLJNSWOY-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)cyclobutanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 243.02177 Da
Monoisotopic Mass: 2.3
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]+	244.02905	144.1
[M+Na]+	266.01099	151.7
[M-H]-	242.01449	149.7
[M+NH4]+	261.05559	156.5
[M+K]+	281.98493	149.1
[M+H-H2O]+	226.01903	134.3
[M+HCOO]-	288.01997	157.5
[M+CH3COO]-	302.03562	195.3
[M+Na-2H]-	263.99644	147.8
[M]+	243.02122	153.7
[M]-	243.02232	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe