CID 554998

64222-87-3

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C=NC2=CC=C(C=C2)I)F

InChI

InChI=1S/C13H9FIN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H

InChIKey

RDAASMLYRFLVPO-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 324.97638 Da
Monoisotopic Mass: 4.0
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]+	325.98366	153.6
[M+Na]+	347.96560	155.1
[M-H]-	323.96910	153.1
[M+NH4]+	343.01020	167.5
[M+K]+	363.93954	156.8
[M+H-H2O]+	307.97364	141.6
[M+HCOO]-	369.97458	174.3
[M+CH3COO]-	383.99023	200.6
[M+Na-2H]-	345.95105	148.5
[M]+	324.97583	149.8
[M]-	324.97693	149.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.