CID 118246115

2731011-38-2

Structural Information

Molecular Formula

C₅H₃ClFIN₂

SMILES

C1=C(C(=C(C(=N1)Cl)F)N)I

InChI

InChI=1S/C5H3ClFIN2/c6-5-3(7)4(9)2(8)1-10-5/h1H,(H2,9,10)

InChIKey

MLXSRTXYRGAHOE-UHFFFAOYSA-N

Compound name

2-chloro-3-fluoro-5-iodopyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 271.90134 Da
Monoisotopic Mass: 1.9
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]+	272.90862	133.4
[M+Na]+	294.89056	137.7
[M-H]-	270.89406	127.9
[M+NH4]+	289.93516	148.8
[M+K]+	310.86450	139.5
[M+H-H2O]+	254.89860	124.0
[M+HCOO]-	316.89954	147.6
[M+CH3COO]-	330.91519	187.5
[M+Na-2H]-	292.87601	127.5
[M]+	271.90079	130.2
[M]-	271.90189	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe