CID 53438958

31191-05-6

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

C1=CC(=NC=C1OC(F)(F)F)C=O

InChI

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

InChIKey

BLAHHCTXVQVVPB-UHFFFAOYSA-N

Compound name

5-(trifluoromethoxy)pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.01941 Da
Monoisotopic Mass: 1.8
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	140.4
[M+Na]+	214.00863	150.0
[M+NH4]+	209.05323	145.5
[M+K]+	229.98257	145.2
[M-H]-	190.01213	136.5
[M+Na-2H]-	211.99408	144.8
[M]+	191.01886	140.3
[M]-	191.01996	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe