CID 13532246

5-amino-3-(trifluoromethyl)picolinonitrile

Structural Information

Molecular Formula

C₇H₄F₃N₃

SMILES

C1=C(C=NC(=C1C(F)(F)F)C#N)N

InChI

InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,3H,12H2

InChIKey

WLMSCOVORZUSNW-UHFFFAOYSA-N

Compound name

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 420
Patents: 187.03574 Da
Monoisotopic Mass: 1.1
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]+	188.04302	141.4
[M+Na]+	210.02496	150.9
[M+NH4]+	205.06956	143.7
[M+K]+	225.99890	142.7
[M-H]-	186.02846	131.5
[M+Na-2H]-	208.01041	143.3
[M]+	187.03519	139.0
[M]-	187.03629	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe