CID 14285353

2-iodo-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₂INO

SMILES

C1=CC=C(C=C1)CCNC(=O)CI

InChI

InChI=1S/C10H12INO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

AAPOELDYPINJTH-UHFFFAOYSA-N

Compound name

2-iodo-N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 288.99637 Da
Monoisotopic Mass: 2.2
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]+	290.00365	151.3
[M+Na]+	311.98559	155.0
[M+NH4]+	307.03019	155.2
[M+K]+	327.95953	151.4
[M-H]-	287.98909	147.4
[M+Na-2H]-	309.97104	145.2
[M]+	288.99582	149.5
[M]-	288.99692	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe