CID 304812

N-(2-amino-4,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₈Cl₂N₂O

SMILES

CC(=O)NC1=CC(=C(C=C1N)Cl)Cl

InChI

InChI=1S/C8H8Cl2N2O/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,11H2,1H3,(H,12,13)

InChIKey

RFAVPISRRMQCOS-UHFFFAOYSA-N

Compound name

N-(2-amino-4,5-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 218.00137 Da
Monoisotopic Mass: 1.7
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]+	219.00865	142.2
[M+Na]+	240.99059	155.2
[M+NH4]+	236.03519	150.7
[M+K]+	256.96453	148.6
[M-H]-	216.99409	144.9
[M+Na-2H]-	238.97604	148.5
[M]+	218.00082	145.2
[M]-	218.00192	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe