CID 118704461

Methyl 2-fluoro-6-(trifluoromethyl)isonicotinate

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
COC(=O)C1=CC(=NC(=C1)F)C(F)(F)F
InChI
InChI=1S/C8H5F4NO2/c1-15-7(14)4-2-5(8(10,11)12)13-6(9)3-4/h2-3H,1H3
InChIKey
FUUZPODFGKPMDK-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.02563 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03291 139.2
[M+Na]+ 246.01485 149.7
[M-H]- 222.01835 137.1
[M+NH4]+ 241.05945 156.5
[M+K]+ 261.98879 147.5
[M+H-H2O]+ 206.02289 129.9
[M+HCOO]- 268.02383 156.6
[M+CH3COO]- 282.03948 187.4
[M+Na-2H]- 244.00030 143.8
[M]+ 223.02508 136.1
[M]- 223.02618 136.1
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.