CID 615893

2-iodo-2'-methoxybenzanilide

Structural Information

Molecular Formula

C₁₄H₁₂INO₂

SMILES

COC1=CC=CC=C1NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C14H12INO2/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3,(H,16,17)

InChIKey

RZRQRXRUBBOOIJ-UHFFFAOYSA-N

Compound name

2-iodo-N-(2-methoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 352.99127 Da
Monoisotopic Mass: 3.4
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]+	353.998546	166.9
[M+Na]+	375.980488	166.9
[M-H]-	351.983994	166.2
[M+NH4]+	371.025093	178.8
[M+K]+	391.954428	169.6
[M+H-H2O]+	335.988530	155.4
[M+HCOO]-	397.989471	186.1
[M+CH3COO]-	412.005121	203.1
[M+Na-2H]-	373.965936	159.7
[M]+	352.99072142	164.6
[M]-	352.99181858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe