CID 817368

4-iodo-6-phenylpyrimidine

Structural Information

Molecular Formula

C₁₀H₇IN₂

SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)I

InChI

InChI=1S/C10H7IN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H

InChIKey

ZTCJXHNJVLUUMR-UHFFFAOYSA-N

Compound name

4-iodo-6-phenylpyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 177
Patents: 281.9654 Da
Monoisotopic Mass: 2.6
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]+	282.97268	143.4
[M+Na]+	304.95462	151.7
[M+NH4]+	299.99922	148.3
[M+K]+	320.92856	147.1
[M-H]-	280.95812	141.4
[M+Na-2H]-	302.94007	141.8
[M]+	281.96485	143.1
[M]-	281.96595	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe