CID 428984

3382-68-1

Structural Information

Molecular Formula

C₁₄H₁₂INO₂

SMILES

COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)I

InChI

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

InChIKey

BTSADZVEHYYJKP-UHFFFAOYSA-N

Compound name

2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.99127 Da
Monoisotopic Mass: 3.3
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	166.2
[M+Na]+	375.980488	167.4
[M-H]-	351.983994	165.9
[M+NH4]+	371.025093	178.5
[M+K]+	391.954428	169.6
[M+H-H2O]+	335.988530	154.8
[M+HCOO]-	397.989471	186.4
[M+CH3COO]-	412.005121	203.4
[M+Na-2H]-	373.965936	159.6
[M]+	352.99072142	164.9
[M]-	352.99181858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.