CID 71757340

7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H7F2N3O2
SMILES
C1=C(N2C(=C(C=N2)C(=O)O)N=C1)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C13H7F2N3O2/c14-8-3-7(4-9(15)5-8)11-1-2-16-12-10(13(19)20)6-17-18(11)12/h1-6H,(H,19,20)
InChIKey
BSQQYDJXVOMHPI-UHFFFAOYSA-N
Compound name
7-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05791 156.4
[M+Na]+ 298.03985 168.9
[M-H]- 274.04335 157.8
[M+NH4]+ 293.08445 170.9
[M+K]+ 314.01379 163.1
[M+H-H2O]+ 258.04789 146.1
[M+HCOO]- 320.04883 175.0
[M+CH3COO]- 334.06448 168.4
[M+Na-2H]- 296.02530 160.5
[M]+ 275.05008 156.9
[M]- 275.05118 156.9
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.