CID 28663

2,2-dichloro-n-(3,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₅Cl₄NO

SMILES

C1=C(C=C(C=C1Cl)Cl)NC(=O)C(Cl)Cl

InChI

InChI=1S/C8H5Cl4NO/c9-4-1-5(10)3-6(2-4)13-8(14)7(11)12/h1-3,7H,(H,13,14)

InChIKey

SSDPYDABCUKLMX-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(3,5-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 270.91254 Da
Monoisotopic Mass: 4.5
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]+	271.91982	154.0
[M+Na]+	293.90176	167.5
[M+NH4]+	288.94636	162.3
[M+K]+	309.87570	159.9
[M-H]-	269.90526	155.4
[M+Na-2H]-	291.88721	160.0
[M]+	270.91199	157.4
[M]-	270.91309	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe