CID 45602094

7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C8H5F2N3O2
SMILES
C1=C2N=CC(=C(N2N=C1)C(F)F)C(=O)O
InChI
InChI=1S/C8H5F2N3O2/c9-7(10)6-4(8(14)15)3-11-5-1-2-12-13(5)6/h1-3,7H,(H,14,15)
InChIKey
DHJIMIJRRHBMOJ-UHFFFAOYSA-N
Compound name
7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03499 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04227 140.8
[M+Na]+ 236.02421 151.2
[M+NH4]+ 231.06881 145.8
[M+K]+ 251.99815 149.3
[M-H]- 212.02771 136.8
[M+Na-2H]- 234.00966 144.3
[M]+ 213.03444 140.7
[M]- 213.03554 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.