CID 45480366

800402-12-4

Structural Information

Molecular Formula

C₅H₄ClIN₂

SMILES

C1=C(C(=CN=C1Cl)I)N

InChI

InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)

InChIKey

DEJUUKULVAIMNF-UHFFFAOYSA-N

Compound name

2-chloro-5-iodopyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 410
Patents: 253.91077 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]+	254.91805	132.7
[M+Na]+	276.89999	136.1
[M-H]-	252.90349	128.2
[M+NH4]+	271.94459	148.5
[M+K]+	292.87393	138.3
[M+H-H2O]+	236.90803	124.0
[M+HCOO]-	298.90897	147.9
[M+CH3COO]-	312.92462	183.8
[M+Na-2H]-	274.88544	127.9
[M]+	253.91022	130.1
[M]-	253.91132	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe