CID 24212019

2,3,5,6-tetrafluoropyridine-4-propionic acid

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
C(CC(=O)O)C1=C(C(=NC(=C1F)F)F)F
InChI
InChI=1S/C8H5F4NO2/c9-5-3(1-2-4(14)15)6(10)8(12)13-7(5)11/h1-2H2,(H,14,15)
InChIKey
JMKYZXITFXJYBO-UHFFFAOYSA-N
Compound name
3-(2,3,5,6-tetrafluoropyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.02563 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03291 138.3
[M+Na]+ 246.01485 149.6
[M-H]- 222.01835 135.1
[M+NH4]+ 241.05945 155.2
[M+K]+ 261.98879 146.0
[M+H-H2O]+ 206.02289 129.0
[M+HCOO]- 268.02383 155.7
[M+CH3COO]- 282.03948 188.2
[M+Na-2H]- 244.00030 140.2
[M]+ 223.02508 134.8
[M]- 223.02618 134.8
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

patents stripe