CID 21698499

159981-19-8

Structural Information

Molecular Formula

C₈H₆F₃NO₂

SMILES

C1=CC(=NC=C1C=O)OCC(F)(F)F

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)3-12-7/h1-4H,5H2

InChIKey

XKOBNYABZGUMQN-UHFFFAOYSA-N

Compound name

6-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 205.03506 Da
Monoisotopic Mass: 1.7
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]+	206.04234	144.7
[M+Na]+	228.02428	154.0
[M+NH4]+	223.06888	149.5
[M+K]+	243.99822	149.0
[M-H]-	204.02778	140.6
[M+Na-2H]-	226.00973	148.8
[M]+	205.03451	144.5
[M]-	205.03561	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe