CID 136621556

2-(trifluoromethyl)-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H8F3N3
SMILES
C1CNC2=CC(=NN2C1)C(F)(F)F
InChI
InChI=1S/C7H8F3N3/c8-7(9,10)5-4-6-11-2-1-3-13(6)12-5/h4,11H,1-3H2
InChIKey
IGFSWNFVMJWKHG-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

191.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.074306 137.6
[M+Na]+ 214.056248 146.4
[M-H]- 190.059754 132.7
[M+NH4]+ 209.100853 155.3
[M+K]+ 230.030188 142.7
[M+H-H2O]+ 174.064290 128.0
[M+HCOO]- 236.065231 150.3
[M+CH3COO]- 250.080881 178.1
[M+Na-2H]- 212.041696 142.9
[M]+ 191.06648142 129.6
[M]- 191.06757858 129.6
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