CID 130092226

5-fluoro-6-(trifluoromethoxy)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H3F4NO2
SMILES
C1=C(C=NC(=C1F)OC(F)(F)F)C=O
InChI
InChI=1S/C7H3F4NO2/c8-5-1-4(3-13)2-12-6(5)14-7(9,10)11/h1-3H
InChIKey
YSSRJWIBESXIFJ-UHFFFAOYSA-N
Compound name
5-fluoro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.017276 134.6
[M+Na]+ 231.999218 145.7
[M-H]- 208.002724 132.5
[M+NH4]+ 227.043823 152.4
[M+K]+ 247.973158 143.2
[M+H-H2O]+ 192.007260 125.3
[M+HCOO]- 254.008201 153.3
[M+CH3COO]- 268.023851 184.2
[M+Na-2H]- 229.984666 140.9
[M]+ 209.00945142 131.9
[M]- 209.01054858 131.9
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.