CID 10798117

1-methyl-3-(trifluoromethyl)-1h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C8H6F3N3
SMILES
CN1C2=C(C=NC=C2)C(=N1)C(F)(F)F
InChI
InChI=1S/C8H6F3N3/c1-14-6-2-3-12-4-5(6)7(13-14)8(9,10)11/h2-4H,1H3
InChIKey
GNIUIUYPKHPFMC-UHFFFAOYSA-N
Compound name
1-methyl-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.058656 137.1
[M+Na]+ 224.040598 150.0
[M-H]- 200.044104 135.0
[M+NH4]+ 219.085203 155.8
[M+K]+ 240.014538 146.1
[M+H-H2O]+ 184.048640 127.5
[M+HCOO]- 246.049581 155.3
[M+CH3COO]- 260.065231 183.9
[M+Na-2H]- 222.026046 144.7
[M]+ 201.05083142 136.1
[M]- 201.05192858 136.1
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.