CID 719986

5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C12H7F3N4
SMILES
C1=CC=C(C=C1)C2=NC3=NC=NN3C(=C2)C(F)(F)F
InChI
InChI=1S/C12H7F3N4/c13-12(14,15)10-6-9(8-4-2-1-3-5-8)18-11-16-7-17-19(10)11/h1-7H
InChIKey
NRCLELLRAKOLNL-UHFFFAOYSA-N
Compound name
5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

264.0623 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06958 155.0
[M+Na]+ 287.05152 167.5
[M-H]- 263.05502 154.6
[M+NH4]+ 282.09612 169.1
[M+K]+ 303.02546 161.2
[M+H-H2O]+ 247.05956 142.9
[M+HCOO]- 309.06050 171.7
[M+CH3COO]- 323.07615 166.5
[M+Na-2H]- 285.03697 162.6
[M]+ 264.06175 153.5
[M]- 264.06285 153.5
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.