CID 4638214

2-(trifluoroacetoxy)pyridine

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

C1=CC=NC(=C1)OC(=O)C(F)(F)F

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)6(12)13-5-3-1-2-4-11-5/h1-4H

InChIKey

BJCXMOBNIFBHBJ-UHFFFAOYSA-N

Compound name

pyridin-2-yl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 191.01941 Da
Monoisotopic Mass: 2.1
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]+	192.02669	132.7
[M+Na]+	214.00863	141.7
[M-H]-	190.01213	131.4
[M+NH4]+	209.05323	150.8
[M+K]+	229.98257	140.1
[M+H-H2O]+	174.01667	124.0
[M+HCOO]-	236.01761	151.5
[M+CH3COO]-	250.03326	179.1
[M+Na-2H]-	211.99408	139.7
[M]+	191.01886	129.7
[M]-	191.01996	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe