CID 3726629

2-chloro-n-(2,4,6-tribromophenyl)acetamide

Structural Information

Molecular Formula

C₈H₅Br₃ClNO

SMILES

C1=C(C=C(C(=C1Br)NC(=O)CCl)Br)Br

InChI

InChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14)

InChIKey

SDQSCWQZOOIZAF-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,4,6-tribromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 402.761 Da
Monoisotopic Mass: 3.8
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]+	403.76828	159.3
[M+Na]+	425.75022	152.4
[M+NH4]+	420.79482	160.4
[M+K]+	441.72416	160.4
[M-H]-	401.75372	161.1
[M+Na-2H]-	423.73567	160.3
[M]+	402.76045	158.7
[M]-	402.76155	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe