CID 17750126

2-(trifluoromethyl)pyrimidine-4-carboxamide

Structural Information

Molecular Formula
C6H4F3N3O
SMILES
C1=CN=C(N=C1C(=O)N)C(F)(F)F
InChI
InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-2-1-3(12-5)4(10)13/h1-2H,(H2,10,13)
InChIKey
LBNILUATVOCQRF-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

191.03064 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe