CID 3464520

3',5'-dichlorodecananilide

Structural Information

Molecular Formula

C₁₆H₂₃Cl₂NO

SMILES

CCCCCCCCCC(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-9-16(20)19-15-11-13(17)10-14(18)12-15/h10-12H,2-9H2,1H3,(H,19,20)

InChIKey

VZTNAZHGRCUTJO-UHFFFAOYSA-N

Compound name

N-(3,5-dichlorophenyl)decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 315.11566 Da
Monoisotopic Mass: 6.4
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]+	316.12294	174.8
[M+Na]+	338.10488	181.5
[M-H]-	314.10838	176.8
[M+NH4]+	333.14948	190.8
[M+K]+	354.07882	174.6
[M+H-H2O]+	298.11292	169.4
[M+HCOO]-	360.11386	187.8
[M+CH3COO]-	374.12951	208.9
[M+Na-2H]-	336.09033	175.5
[M]+	315.11511	180.3
[M]-	315.11621	180.3

Literature stripe

literature stripe

Patent stripe

patents stripe