CID 2775313

175204-87-2

Structural Information

Molecular Formula

C₈H₇F₃N₂O₂

SMILES

COC1=NC=C(C(=C1)C(F)(F)F)C(=O)N

InChI

InChI=1S/C8H7F3N2O2/c1-15-6-2-5(8(9,10)11)4(3-13-6)7(12)14/h2-3H,1H3,(H2,12,14)

InChIKey

VFLNKWOUCVJBOA-UHFFFAOYSA-N

Compound name

6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6
Patents: 220.04596 Da
Monoisotopic Mass: 0.9
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]+	221.05324	141.4
[M+Na]+	243.03518	150.8
[M-H]-	219.03868	140.0
[M+NH4]+	238.07978	158.2
[M+K]+	259.00912	148.6
[M+H-H2O]+	203.04322	132.6
[M+HCOO]-	265.04416	160.2
[M+CH3COO]-	279.05981	189.4
[M+Na-2H]-	241.02063	145.7
[M]+	220.04541	137.8
[M]-	220.04651	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe