CID 68423044

2-(trifluoromethyl)pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C6H4F3N3O
SMILES
C1=C(C=NC(=N1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
InChIKey
OKRNBFHZDGTDRX-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

191.03064 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03792 134.0
[M+Na]+ 214.01986 143.5
[M-H]- 190.02336 131.2
[M+NH4]+ 209.06446 150.4
[M+K]+ 229.99380 141.0
[M+H-H2O]+ 174.02790 124.6
[M+HCOO]- 236.02884 152.0
[M+CH3COO]- 250.04449 182.8
[M+Na-2H]- 212.00531 140.2
[M]+ 191.03009 128.4
[M]- 191.03119 128.4
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