CID 122230439

N-(2,2-difluoroethyl)pyridin-3-amine

Structural Information

Molecular Formula

C₇H₈F₂N₂

SMILES

C1=CC(=CN=C1)NCC(F)F

InChI

InChI=1S/C7H8F2N2/c8-7(9)5-11-6-2-1-3-10-4-6/h1-4,7,11H,5H2

InChIKey

JCRZUJFKLUOXSC-UHFFFAOYSA-N

Compound name

N-(2,2-difluoroethyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.06555 Da
Monoisotopic Mass: 1.7
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	130.3
[M+Na]+	181.05477	140.5
[M+NH4]+	176.09937	137.4
[M+K]+	197.02871	134.6
[M-H]-	157.05827	129.6
[M+Na-2H]-	179.04022	136.7
[M]+	158.06500	131.2
[M]-	158.06610	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe