CID 2190306

N-allyl-2-iodobenzamide

Structural Information

Molecular Formula

C₁₀H₁₀INO

SMILES

C=CCNC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C10H10INO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)

InChIKey

OLXWXYYAYYVWJV-UHFFFAOYSA-N

Compound name

2-iodo-N-prop-2-enylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 286.9807 Da
Monoisotopic Mass: 2.0
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]+	287.98798	150.1
[M+Na]+	309.96992	150.1
[M-H]-	285.97342	146.6
[M+NH4]+	305.01452	164.8
[M+K]+	325.94386	153.2
[M+H-H2O]+	269.97796	140.3
[M+HCOO]-	331.97890	169.4
[M+CH3COO]-	345.99455	192.0
[M+Na-2H]-	307.95537	143.1
[M]+	286.98015	146.7
[M]-	286.98125	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe