CID 118540061

Schembl17292928

Structural Information

Molecular Formula

C₆H₅ClF₂N₂O

SMILES

C1=C(C=NC(=C1Cl)OC(F)F)N

InChI

InChI=1S/C6H5ClF2N2O/c7-4-1-3(10)2-11-5(4)12-6(8)9/h1-2,6H,10H2

InChIKey

UGSWTAHGXMVYAH-UHFFFAOYSA-N

Compound name

5-chloro-6-(difluoromethoxy)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 194.00584 Da
Monoisotopic Mass: 2.1
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]+	195.01312	131.9
[M+Na]+	216.99506	142.2
[M-H]-	192.99856	131.6
[M+NH4]+	212.03966	150.7
[M+K]+	232.96900	138.6
[M+H-H2O]+	177.00310	124.7
[M+HCOO]-	239.00404	149.2
[M+CH3COO]-	253.01969	183.5
[M+Na-2H]-	214.98051	136.8
[M]+	194.00529	130.8
[M]-	194.00639	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe