CID 4775471

7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H8FN3O2
SMILES
C1=CC(=CC=C1C2=CC=NC3=CC(=NN23)C(=O)O)F
InChI
InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-5-6-15-12-7-10(13(18)19)16-17(11)12/h1-7H,(H,18,19)
InChIKey
KEPLEJMWLKXTOC-UHFFFAOYSA-N
Compound name
7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

257.06006 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06734 153.4
[M+Na]+ 280.04928 165.1
[M-H]- 256.05278 155.9
[M+NH4]+ 275.09388 168.5
[M+K]+ 296.02322 159.7
[M+H-H2O]+ 240.05732 143.9
[M+HCOO]- 302.05826 173.2
[M+CH3COO]- 316.07391 165.7
[M+Na-2H]- 278.03473 158.9
[M]+ 257.05951 154.6
[M]- 257.06061 154.6
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.