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]+ 292.02031 152.6
[M+Na]+ 314.00225 162.1
[M-H]- 290.00575 145.2
[M+NH4]+ 309.04685 165.8
[M+K]+ 329.97619 158.4
[M+H-H2O]+ 274.01029 141.4
[M+HCOO]- 336.01123 161.6
[M+CH3COO]- 350.02688 197.1
[M+Na-2H]- 311.98770 156.8
[M]+ 291.01248 142.4
[M]- 291.01358 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.