CID 7017072

5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H9F2N3O2
SMILES
C1CC1C2=NC3=CC(=NN3C(=C2)C(F)F)C(=O)O
InChI
InChI=1S/C11H9F2N3O2/c12-10(13)8-3-6(5-1-2-5)14-9-4-7(11(17)18)15-16(8)9/h3-5,10H,1-2H2,(H,17,18)
InChIKey
CIYZFIWSCDKTKG-UHFFFAOYSA-N
Compound name
5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06628 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07356 158.1
[M+Na]+ 276.05550 169.3
[M+NH4]+ 271.10010 163.6
[M+K]+ 292.02944 168.2
[M-H]- 252.05900 162.2
[M+Na-2H]- 274.04095 163.7
[M]+ 253.06573 161.5
[M]- 253.06683 161.5
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.