CID 118843182

1361738-44-4

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

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

InChI

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

InChIKey

YJSBDYNLBXPXEN-UHFFFAOYSA-N

Compound name

2-(trifluoromethoxy)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	132.3
[M+Na]+	214.00863	142.4
[M-H]-	190.01213	131.2
[M+NH4]+	209.05323	150.6
[M+K]+	229.98257	140.3
[M+H-H2O]+	174.01667	123.7
[M+HCOO]-	236.01761	152.1
[M+CH3COO]-	250.03326	180.1
[M+Na-2H]-	211.99408	139.8
[M]+	191.01886	130.4
[M]-	191.01996	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.