CID 84071586

7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H6F3N3O2
SMILES
CC1=CC(=NC2=CC(=NN12)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H6F3N3O2/c1-4-2-5(8(16)17)13-7-3-6(9(10,11)12)14-15(4)7/h2-3H,1H3,(H,16,17)
InChIKey
XAPJVSORZWEXED-UHFFFAOYSA-N
Compound name
7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04121 Da
Monoisotopic Mass

1.5
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.

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No literature data available for this compound.

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No patent data available for this compound.