CID 842761

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

Structural Information

Molecular Formula
C9H7F2N3O2
SMILES
CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)O
InChI
InChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16)
InChIKey
YYIJNWNMCIXAJD-UHFFFAOYSA-N
Compound name
7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

227.05063 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05791 143.1
[M+Na]+ 250.03985 155.0
[M-H]- 226.04335 141.1
[M+NH4]+ 245.08445 159.8
[M+K]+ 266.01379 151.4
[M+H-H2O]+ 210.04789 134.3
[M+HCOO]- 272.04883 160.8
[M+CH3COO]- 286.06448 188.0
[M+Na-2H]- 248.02530 146.8
[M]+ 227.05008 143.7
[M]- 227.05118 143.7
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

patents stripe