CID 71833015

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

Structural Information

Molecular Formula
C13H8FN3O2
SMILES
C1=CC(=CC=C1C2=CC(=NC3=CC=NN32)C(=O)O)F
InChI
InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-7-10(13(18)19)16-12-5-6-15-17(11)12/h1-7H,(H,18,19)
InChIKey
TXZTZSQDJXQZNA-UHFFFAOYSA-N
Compound name
7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 258.067336 153.4
[M+Na]+ 280.049278 165.1
[M-H]- 256.052784 155.9
[M+NH4]+ 275.093883 168.5
[M+K]+ 296.023218 159.7
[M+H-H2O]+ 240.057320 143.9
[M+HCOO]- 302.058261 173.2
[M+CH3COO]- 316.073911 165.7
[M+Na-2H]- 278.034726 158.9
[M]+ 257.05951142 154.6
[M]- 257.06060858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.