CID 119007604

3-(trifluoromethoxy)isonicotinaldehyde

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=CN=CC(=C1C=O)OC(F)(F)F
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)13-6-3-11-2-1-5(6)4-12/h1-4H
InChIKey
COFPUWBBAHFINV-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.01941 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.