CID 124249388

20897-65-8

Structural Information

Molecular Formula
C9H4F7NO2
SMILES
C1=CN=C(C=C1C(=O)O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)5-3-4(6(18)19)1-2-17-5/h1-3H,(H,18,19)
InChIKey
UIVKNBKEEUUPPJ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

291.01303 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.020306 152.6
[M+Na]+ 314.002248 162.1
[M-H]- 290.005754 145.2
[M+NH4]+ 309.046853 165.8
[M+K]+ 329.976188 158.4
[M+H-H2O]+ 274.010290 141.4
[M+HCOO]- 336.011231 161.6
[M+CH3COO]- 350.026881 197.1
[M+Na-2H]- 311.987696 156.8
[M]+ 291.01248142 142.4
[M]- 291.01357858 142.4
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.