CID 1096391

438227-80-6

Structural Information

Molecular Formula

C₁₁H₉F₂N₃O₂

SMILES

C1CC1C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)O

InChI

InChI=1S/C11H9F2N3O2/c12-9(13)8-3-7(5-1-2-5)15-10-6(11(17)18)4-14-16(8)10/h3-5,9H,1-2H2,(H,17,18)

InChIKey

AZZCLQRJWLKGDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 253.06628 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe