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

6
Patents

296.07727 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.084546 162.7
[M+Na]+ 319.066488 169.2
[M-H]- 295.069994 162.8
[M+NH4]+ 314.111093 175.0
[M+K]+ 335.040428 164.8
[M+H-H2O]+ 279.074530 152.0
[M+HCOO]- 341.075471 179.1
[M+CH3COO]- 355.091121 200.4
[M+Na-2H]- 317.051936 166.7
[M]+ 296.07672142 157.0
[M]- 296.07781858 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