CID 4144064

3-pyridinecarboxamide, n-[4-(nonafluorobutoxy)phenyl]-

Structural Information

Molecular Formula
C16H9F9N2O2
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H9F9N2O2/c17-13(18,15(21,22)23)14(19,20)16(24,25)29-11-5-3-10(4-6-11)27-12(28)9-2-1-7-26-8-9/h1-8H,(H,27,28)
InChIKey
HNVMERIRLUAKLX-UHFFFAOYSA-N
Compound name
N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.05203 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05931 188.8
[M+Na]+ 455.04125 196.7
[M-H]- 431.04475 183.0
[M+NH4]+ 450.08585 196.0
[M+K]+ 471.01519 191.3
[M+H-H2O]+ 415.04929 173.4
[M+HCOO]- 477.05023 195.5
[M+CH3COO]- 491.06588 226.1
[M+Na-2H]- 453.02670 192.8
[M]+ 432.05148 176.7
[M]- 432.05258 176.7
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.