CID 146049386

2411221-48-0

Structural Information

Molecular Formula
C8H5ClF3N3
SMILES
CC1=C2C(=CC(=NC2=NN1)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3N3/c1-3-6-4(9)2-5(8(10,11)12)13-7(6)15-14-3/h2H,1H3,(H,13,14,15)
InChIKey
PDJRUWYYXIXCJE-UHFFFAOYSA-N
Compound name
4-chloro-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0124 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01968 142.9
[M+Na]+ 258.00162 156.8
[M-H]- 234.00512 139.4
[M+NH4]+ 253.04622 160.5
[M+K]+ 273.97556 150.3
[M+H-H2O]+ 218.00966 134.0
[M+HCOO]- 280.01060 154.8
[M+CH3COO]- 294.02625 186.2
[M+Na-2H]- 255.98707 148.8
[M]+ 235.01185 142.2
[M]- 235.01295 142.2
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.