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 155.0
[M+Na]+ 276.05550 167.6
[M-H]- 252.05900 156.4
[M+NH4]+ 271.10010 165.6
[M+K]+ 292.02944 161.1
[M+H-H2O]+ 236.06354 145.5
[M+HCOO]- 298.06448 172.4
[M+CH3COO]- 312.08013 195.3
[M+Na-2H]- 274.04095 157.3
[M]+ 253.06573 157.1
[M]- 253.06683 157.1
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.