CID 64393594

3-(trifluoroacetamido)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H5F3N2O3
SMILES
C1=CN=CC(=C1C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H5F3N2O3/c9-8(10,11)7(16)13-5-3-12-2-1-4(5)6(14)15/h1-3H,(H,13,16)(H,14,15)
InChIKey
GJWUKGILXOBNHX-UHFFFAOYSA-N
Compound name
3-[(2,2,2-trifluoroacetyl)amino]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03250 142.9
[M+Na]+ 257.01444 151.0
[M-H]- 233.01794 140.4
[M+NH4]+ 252.05904 158.2
[M+K]+ 272.98838 148.7
[M+H-H2O]+ 217.02248 134.1
[M+HCOO]- 279.02342 160.4
[M+CH3COO]- 293.03907 187.8
[M+Na-2H]- 254.99989 147.5
[M]+ 234.02467 138.1
[M]- 234.02577 138.1
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.