CID 4572525

5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6F3N3O2
SMILES
CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H6F3N3O2/c1-4-2-6(9(10,11)12)15-7(14-4)5(3-13-15)8(16)17/h2-3H,1H3,(H,16,17)
InChIKey
DAMOOHCQZZFUPI-UHFFFAOYSA-N
Compound name
5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

245.04121 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04849 150.6
[M+Na]+ 268.03043 159.7
[M+NH4]+ 263.07503 154.3
[M+K]+ 284.00437 158.2
[M-H]- 244.03393 144.9
[M+Na-2H]- 266.01588 152.9
[M]+ 245.04066 149.8
[M]- 245.04176 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.