CID 84716660

6-(1,1-difluoroethyl)pyridin-3-amine

Structural Information

Molecular Formula

C₇H₈F₂N₂

SMILES

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

InChI

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

InChIKey

FENAVCPETHIHRB-UHFFFAOYSA-N

Compound name

6-(1,1-difluoroethyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.06555 Da
Monoisotopic Mass: 1.0
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	131.0
[M+Na]+	181.05477	141.4
[M+NH4]+	176.09937	137.9
[M+K]+	197.02871	136.3
[M-H]-	157.05827	129.9
[M+Na-2H]-	179.04022	137.0
[M]+	158.06500	131.9
[M]-	158.06610	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe