CID 3058191

74696-77-8

Structural Information

Molecular Formula
C14H11F3N2O2
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)O
InChI
InChI=1S/C14H11F3N2O2/c15-14(16,17)12(20)9-3-5-11(6-4-9)19-13(21)10-2-1-7-18-8-10/h1-8,12,20H,(H,19,21)
InChIKey
JXVJRUGUGSBTPR-UHFFFAOYSA-N
Compound name
N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.07727 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08455 162.7
[M+Na]+ 319.06649 169.2
[M-H]- 295.06999 162.8
[M+NH4]+ 314.11109 175.0
[M+K]+ 335.04043 164.8
[M+H-H2O]+ 279.07453 152.0
[M+HCOO]- 341.07547 179.1
[M+CH3COO]- 355.09112 200.4
[M+Na-2H]- 317.05194 166.7
[M]+ 296.07672 157.0
[M]- 296.07782 157.0
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