CID 164780161

Schembl24463399

Structural Information

Molecular Formula

C₇H₃ClFIN₂

SMILES

C1=C(C(=CN2C1=NC=C2Cl)F)I

InChI

InChI=1S/C7H3ClFIN2/c8-6-2-11-7-1-5(10)4(9)3-12(6)7/h1-3H

InChIKey

FSUCUVXQLQBITD-UHFFFAOYSA-N

Compound name

3-chloro-6-fluoro-7-iodoimidazo[1,2-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.90134 Da
Monoisotopic Mass: 3.5
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]+	296.90862	129.4
[M+Na]+	318.89056	136.3
[M-H]-	294.89406	124.2
[M+NH4]+	313.93516	146.0
[M+K]+	334.86450	137.2
[M+H-H2O]+	278.89860	119.3
[M+HCOO]-	340.89954	143.6
[M+CH3COO]-	354.91519	140.3
[M+Na-2H]-	316.87601	125.7
[M]+	295.90079	130.2
[M]-	295.90189	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe