CID 845435

436088-48-1

Structural Information

Molecular Formula
C11H8F3N3O2
SMILES
C1CC1C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-6(5-1-2-5)15-9-4-7(10(18)19)16-17(8)9/h3-5H,1-2H2,(H,18,19)
InChIKey
PGXPRWZRCZPWJX-UHFFFAOYSA-N
Compound name
5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

271.05685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06413 163.3
[M+Na]+ 294.04607 172.7
[M+NH4]+ 289.09067 167.5
[M+K]+ 310.02001 172.1
[M-H]- 270.04957 165.2
[M+Na-2H]- 292.03152 167.9
[M]+ 271.05630 165.7
[M]- 271.05740 165.7
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.