CID 11230204

4-chloro-5-iodopyrimidine

Structural Information

Molecular Formula

C₄H₂ClIN₂

SMILES

C1=C(C(=NC=N1)Cl)I

InChI

InChI=1S/C4H2ClIN2/c5-4-3(6)1-7-2-8-4/h1-2H

InChIKey

BIWOQXBVRYUITN-UHFFFAOYSA-N

Compound name

4-chloro-5-iodopyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 396
Patents: 239.89513 Da
Monoisotopic Mass: 1.8
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]+	240.90241	121.9
[M+Na]+	262.88435	125.7
[M-H]-	238.88785	116.3
[M+NH4]+	257.92895	137.3
[M+K]+	278.85829	128.6
[M+H-H2O]+	222.89239	112.6
[M+HCOO]-	284.89333	135.9
[M+CH3COO]-	298.90898	178.7
[M+Na-2H]-	260.86980	119.8
[M]+	239.89458	120.8
[M]-	239.89568	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe