CID 3055232

Picolinamide, 5-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-

Structural Information

Molecular Formula
C13H9F3N2O2
SMILES
C1=CC=C(C(=C1)C(F)(F)F)OC2=CN=C(C=C2)C(=O)N
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-10(12(17)19)18-7-8/h1-7H,(H2,17,19)
InChIKey
OCYOPQMIQQOESK-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.0616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.068876 158.8
[M+Na]+ 305.050818 167.4
[M-H]- 281.054324 160.2
[M+NH4]+ 300.095423 172.5
[M+K]+ 321.024758 163.2
[M+H-H2O]+ 265.058860 148.1
[M+HCOO]- 327.059801 177.3
[M+CH3COO]- 341.075451 200.2
[M+Na-2H]- 303.036266 163.1
[M]+ 282.06105142 154.6
[M]- 282.06214858 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

No literature data available for this compound.

Patent stripe

patents stripe