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 158.2
[M+Na]+ 294.04607 171.4
[M-H]- 270.04957 158.5
[M+NH4]+ 289.09067 168.2
[M+K]+ 310.02001 164.5
[M+H-H2O]+ 254.05411 148.3
[M+HCOO]- 316.05505 173.9
[M+CH3COO]- 330.07070 196.8
[M+Na-2H]- 292.03152 161.9
[M]+ 271.05630 159.2
[M]- 271.05740 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.