CID 25247839

5-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Structural Information

Molecular Formula
C14H8F3N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C14H8F3N3O2/c15-14(16,17)11-7-12-18-9(8-4-2-1-3-5-8)6-10(13(21)22)20(12)19-11/h1-7H,(H,21,22)
InChIKey
BCNJFBQUQFDERF-UHFFFAOYSA-N
Compound name
5-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06413 164.9
[M+Na]+ 330.04607 176.5
[M-H]- 306.04957 164.8
[M+NH4]+ 325.09067 177.9
[M+K]+ 346.02001 170.5
[M+H-H2O]+ 290.05411 153.9
[M+HCOO]- 352.05505 180.4
[M+CH3COO]- 366.07070 200.4
[M+Na-2H]- 328.03152 169.5
[M]+ 307.05630 163.6
[M]- 307.05740 163.6
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.