CID 135646599

869948-08-3

Structural Information

Molecular Formula
C8H8F3N3O2
SMILES
C1CNC2=C(C=NN2C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H8F3N3O2/c9-8(10,11)5-1-2-12-6-4(7(15)16)3-13-14(5)6/h3,5,12H,1-2H2,(H,15,16)
InChIKey
NIAZXMDUIWSZGJ-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

235.05685 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06413 147.4
[M+Na]+ 258.04607 156.1
[M-H]- 234.04957 141.6
[M+NH4]+ 253.09067 162.6
[M+K]+ 274.02001 152.2
[M+H-H2O]+ 218.05411 138.4
[M+HCOO]- 280.05505 157.9
[M+CH3COO]- 294.07070 183.9
[M+Na-2H]- 256.03152 150.2
[M]+ 235.05630 139.9
[M]- 235.05740 139.9
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

patents stripe