CID 55293781

1270488-52-2

Structural Information

Molecular Formula

C₇H₈F₂N₂

SMILES

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

InChI

InChI=1S/C7H8F2N2/c1-4(10)7-5(8)2-11-3-6(7)9/h2-4H,10H2,1H3

InChIKey

SNTNAXQGPHXUJO-UHFFFAOYSA-N

Compound name

1-(3,5-difluoropyridin-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.06555 Da
Monoisotopic Mass: 0.3
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]+	159.07283	130.8
[M+Na]+	181.05477	141.5
[M+NH4]+	176.09937	137.8
[M+K]+	197.02871	136.2
[M-H]-	157.05827	130.1
[M+Na-2H]-	179.04022	136.3
[M]+	158.06500	131.8
[M]-	158.06610	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.