CID 136575477

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

Structural Information

Molecular Formula
C14H9F2N3O2
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C(C=NN23)C(=O)O)C(F)F
InChI
InChI=1S/C14H9F2N3O2/c15-12(16)10-6-11(8-4-2-1-3-5-8)19-13(18-10)9(7-17-19)14(20)21/h1-7,12H,(H,20,21)
InChIKey
DNRQQNNLQVANPI-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06628 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07356 160.4
[M+Na]+ 312.05550 171.3
[M-H]- 288.05900 161.4
[M+NH4]+ 307.10010 174.0
[M+K]+ 328.02944 165.7
[M+H-H2O]+ 272.06354 149.8
[M+HCOO]- 334.06448 177.7
[M+CH3COO]- 348.08013 171.6
[M+Na-2H]- 310.04095 163.7
[M]+ 289.06573 160.3
[M]- 289.06683 160.3
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.