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

20
Patents

191.06703 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07431 137.6
[M+Na]+ 214.05625 146.4
[M-H]- 190.05975 132.7
[M+NH4]+ 209.10085 155.3
[M+K]+ 230.03019 142.7
[M+H-H2O]+ 174.06429 128.0
[M+HCOO]- 236.06523 150.3
[M+CH3COO]- 250.08088 178.1
[M+Na-2H]- 212.04170 142.9
[M]+ 191.06648 129.6
[M]- 191.06758 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