CID 11837154

2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

Structural Information

Molecular Formula
C13H9F3N2O2
SMILES
C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)N)C(F)(F)F
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)20-12-10(11(17)19)5-2-6-18-12/h1-7H,(H2,17,19)
InChIKey
NHNAFOYMIQFCGO-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

9
Patents

282.0616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06888 158.8
[M+Na]+ 305.05082 167.4
[M-H]- 281.05432 160.2
[M+NH4]+ 300.09542 172.5
[M+K]+ 321.02476 163.2
[M+H-H2O]+ 265.05886 148.1
[M+HCOO]- 327.05980 177.3
[M+CH3COO]- 341.07545 200.2
[M+Na-2H]- 303.03627 163.1
[M]+ 282.06105 154.6
[M]- 282.06215 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe