CID 1259793

676521-71-4

Structural Information

Molecular Formula
C15H7F6N3O2
SMILES
C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)C(C(F)(F)F)(F)F)C(=O)O)F
InChI
InChI=1S/C15H7F6N3O2/c16-8-3-1-7(2-4-8)9-5-11(14(17,18)15(19,20)21)24-12(22-9)6-10(23-24)13(25)26/h1-6H,(H,25,26)
InChIKey
JOILSEHAHMRFOW-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.04425 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05153 179.0
[M+Na]+ 398.03347 191.4
[M-H]- 374.03697 175.5
[M+NH4]+ 393.07807 189.2
[M+K]+ 414.00741 184.5
[M+H-H2O]+ 358.04151 165.9
[M+HCOO]- 420.04245 189.1
[M+CH3COO]- 434.05810 213.3
[M+Na-2H]- 396.01892 181.6
[M]+ 375.04370 174.3
[M]- 375.04480 174.3
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.