CID 4933

Propanil

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

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

InChI

InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)

InChIKey

LFULEKSKNZEWOE-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 347
References: 40303
Patents: 217.00612 Da
Monoisotopic Mass: 3.1
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]+	218.01340	142.2
[M+Na]+	239.99534	156.2
[M+NH4]+	235.03994	151.2
[M+K]+	255.96928	148.5
[M-H]-	215.99884	144.8
[M+Na-2H]-	237.98079	149.3
[M]+	217.00557	145.5
[M]-	217.00667	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe