CID 525041

730-25-6

Structural Information

Molecular Formula

C₁₄H₁₉Cl₂NO

SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H19Cl2NO/c1-2-3-4-5-6-7-14(18)17-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3,(H,17,18)

InChIKey

SZKXTFXJAMTZJN-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 287.08438 Da
Monoisotopic Mass: 5.8
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]+	288.09166	165.6
[M+Na]+	310.07360	173.1
[M-H]-	286.07710	168.0
[M+NH4]+	305.11820	182.8
[M+K]+	326.04754	166.8
[M+H-H2O]+	270.08164	160.7
[M+HCOO]-	332.08258	179.3
[M+CH3COO]-	346.09823	203.0
[M+Na-2H]-	308.05905	167.4
[M]+	287.08383	170.4
[M]-	287.08493	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe