CID 226498

4',5'-dichloro-2'-nitroacetanilide

Structural Information

Molecular Formula

C₈H₆Cl₂N₂O₃

SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)

InChIKey

ZEGRPTYRAGSSBH-UHFFFAOYSA-N

Compound name

N-(4,5-dichloro-2-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 247.97554 Da
Monoisotopic Mass: 2.4
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]+	248.98282	147.9
[M+Na]+	270.96476	156.8
[M-H]-	246.96826	151.2
[M+NH4]+	266.00936	165.6
[M+K]+	286.93870	148.8
[M+H-H2O]+	230.97280	149.0
[M+HCOO]-	292.97374	164.6
[M+CH3COO]-	306.98939	187.4
[M+Na-2H]-	268.95021	152.9
[M]+	247.97499	149.9
[M]-	247.97609	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe