CID 2767298

3,5-dichloro-n-propylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

CCCNC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H11Cl2NO/c1-2-3-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)

InChIKey

MPELDPYJXWGKJS-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-propylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 231.02177 Da
Monoisotopic Mass: 3.9
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]+	232.02905	146.7
[M+Na]+	254.01099	160.5
[M+NH4]+	249.05559	155.6
[M+K]+	269.98493	152.6
[M-H]-	230.01449	149.3
[M+Na-2H]-	251.99644	153.6
[M]+	231.02122	150.0
[M]-	231.02232	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe