CID 1486218

384847-78-3

Structural Information

Molecular Formula
C13H8ClF3N2O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CN=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H8ClF3N2O/c14-11-5-4-8(7-18-11)12(20)19-10-3-1-2-9(6-10)13(15,16)17/h1-7H,(H,19,20)
InChIKey
FZNVBFHOJZDXTL-UHFFFAOYSA-N
Compound name
6-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0277 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03498 160.4
[M+Na]+ 323.01692 170.0
[M-H]- 299.02042 162.2
[M+NH4]+ 318.06152 174.7
[M+K]+ 338.99086 163.7
[M+H-H2O]+ 283.02496 150.5
[M+HCOO]- 345.02590 174.9
[M+CH3COO]- 359.04155 201.7
[M+Na-2H]- 321.00237 165.3
[M]+ 300.02715 158.1
[M]- 300.02825 158.1
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.