CID 10176199

247069-27-8

Structural Information

Molecular Formula

C₅H₅F₂N₃

SMILES

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

InChI

InChI=1S/C5H5F2N3/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H4,8,9,10)

InChIKey

GCIUCMRUMOAHKR-UHFFFAOYSA-N

Compound name

3,5-difluoropyridine-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 145.04515 Da
Monoisotopic Mass: 0.4
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]+	146.052426	123.8
[M+Na]+	168.034368	134.2
[M-H]-	144.037874	123.7
[M+NH4]+	163.078973	143.5
[M+K]+	184.008308	131.4
[M+H-H2O]+	128.042410	116.1
[M+HCOO]-	190.043351	147.1
[M+CH3COO]-	204.059001	179.2
[M+Na-2H]-	166.019816	129.3
[M]+	145.04460142	118.1
[M]-	145.04569858	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe