CID 28743124

5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C8H5F3N4O2
SMILES
CC1=NC2=NC(=NN2C(=C1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H5F3N4O2/c1-3-2-4(5(16)17)15-7(12-3)13-6(14-15)8(9,10)11/h2H,1H3,(H,16,17)
InChIKey
SWQMWFCDBDSECP-UHFFFAOYSA-N
Compound name
5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03645 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04373 147.8
[M+Na]+ 269.02567 160.9
[M-H]- 245.02917 143.6
[M+NH4]+ 264.07027 162.5
[M+K]+ 284.99961 156.8
[M+H-H2O]+ 229.03371 138.1
[M+HCOO]- 291.03465 162.7
[M+CH3COO]- 305.05030 189.6
[M+Na-2H]- 267.01112 153.2
[M]+ 246.03590 147.3
[M]- 246.03700 147.3
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.