CID 631038

N-(4-chlorobenzylidene)-4-iodoaniline

Structural Information

Molecular Formula

C₁₃H₉ClIN

SMILES

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

InChI

InChI=1S/C13H9ClIN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H

InChIKey

QQRLQNNABICPKV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 340.9468 Da
Monoisotopic Mass: 4.5
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]+	341.95408	157.0
[M+Na]+	363.93602	159.2
[M-H]-	339.93952	157.5
[M+NH4]+	358.98062	171.2
[M+K]+	379.90996	159.6
[M+H-H2O]+	323.94406	146.5
[M+HCOO]-	385.94500	174.4
[M+CH3COO]-	399.96065	201.6
[M+Na-2H]-	361.92147	152.0
[M]+	340.94625	156.3
[M]-	340.94735	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe