CID 1270911

1682-20-8

Structural Information

Molecular Formula

C₅H₂F₄N₂

SMILES

C1(=C(C(=NC(=C1F)F)F)F)N

InChI

InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)

InChIKey

PLVFNMQHMRRBAA-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrafluoropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 166.01541 Da
Monoisotopic Mass: 1.2
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]+	167.022686	124.2
[M+Na]+	189.004628	136.4
[M-H]-	165.008134	122.2
[M+NH4]+	184.049233	143.7
[M+K]+	204.978568	133.1
[M+H-H2O]+	149.012670	115.1
[M+HCOO]-	211.013611	144.8
[M+CH3COO]-	225.029261	181.8
[M+Na-2H]-	186.990076	128.6
[M]+	166.01486142	118.2
[M]-	166.01595858	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe