CID 26814

14676-40-5

Structural Information

Molecular Formula

C₈H₆Cl₂INO

SMILES

C1=CC(=CC=C1NC(=O)C(Cl)Cl)I

InChI

InChI=1S/C8H6Cl2INO/c9-7(10)8(13)12-6-3-1-5(11)2-4-6/h1-4,7H,(H,12,13)

InChIKey

JAXXQYDCVCBDID-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(4-iodophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 328.88712 Da
Monoisotopic Mass: 4.1
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]+	329.89440	149.9
[M+Na]+	351.87634	151.4
[M-H]-	327.87984	146.1
[M+NH4]+	346.92094	164.3
[M+K]+	367.85028	152.6
[M+H-H2O]+	311.88438	142.2
[M+HCOO]-	373.88532	159.8
[M+CH3COO]-	387.90097	195.8
[M+Na-2H]-	349.86179	142.3
[M]+	328.88657	149.1
[M]-	328.88767	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe