CID 167719938

5-(1,2,2,2-tetrafluoroethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
C1=CC(=NC=C1C(C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C8H5F4NO2/c9-6(8(10,11)12)4-1-2-5(7(14)15)13-3-4/h1-3,6H,(H,14,15)
InChIKey
SNMWEVNJTCZMRS-UHFFFAOYSA-N
Compound name
5-(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]+ 224.032906 139.6
[M+Na]+ 246.014848 148.3
[M-H]- 222.018354 135.7
[M+NH4]+ 241.059453 155.7
[M+K]+ 261.988788 145.7
[M+H-H2O]+ 206.022890 130.3
[M+HCOO]- 268.023831 154.5
[M+CH3COO]- 282.039481 185.1
[M+Na-2H]- 244.000296 143.1
[M]+ 223.02508142 133.7
[M]- 223.02617858 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.