CID 13148076

89990-38-5

Structural Information

Molecular Formula
C8H5F6N3O
SMILES
C1=C(C(=C(N=C1C(F)(F)F)N)C(=O)N)C(F)(F)F
InChI
InChI=1S/C8H5F6N3O/c9-7(10,11)2-1-3(8(12,13)14)17-5(15)4(2)6(16)18/h1H,(H2,15,17)(H2,16,18)
InChIKey
UWZWJQLLUWGYIW-UHFFFAOYSA-N
Compound name
2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0337 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04098 151.2
[M+Na]+ 296.02292 161.4
[M-H]- 272.02642 146.0
[M+NH4]+ 291.06752 165.3
[M+K]+ 311.99686 157.5
[M+H-H2O]+ 256.03096 140.2
[M+HCOO]- 318.03190 165.3
[M+CH3COO]- 332.04755 201.5
[M+Na-2H]- 294.00837 153.1
[M]+ 273.03315 140.2
[M]- 273.03425 140.2
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.