CID 165987513

6-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
C1=CC(=NC(=C1)C(=O)O)C(C(F)(F)F)F
InChI
InChI=1S/C8H5F4NO2/c9-6(8(10,11)12)4-2-1-3-5(13-4)7(14)15/h1-3,6H,(H,14,15)
InChIKey
ROQVYPFYULDJSN-UHFFFAOYSA-N
Compound name
6-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.02563 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03291 139.6
[M+Na]+ 246.01485 148.3
[M-H]- 222.01835 135.7
[M+NH4]+ 241.05945 155.7
[M+K]+ 261.98879 145.7
[M+H-H2O]+ 206.02289 130.3
[M+HCOO]- 268.02383 154.5
[M+CH3COO]- 282.03948 185.1
[M+Na-2H]- 244.00030 143.1
[M]+ 223.02508 133.7
[M]- 223.02618 133.7
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.