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]+ 202.05866 137.1
[M+Na]+ 224.04060 150.0
[M-H]- 200.04410 135.0
[M+NH4]+ 219.08520 155.8
[M+K]+ 240.01454 146.1
[M+H-H2O]+ 184.04864 127.5
[M+HCOO]- 246.04958 155.3
[M+CH3COO]- 260.06523 183.9
[M+Na-2H]- 222.02605 144.7
[M]+ 201.05083 136.1
[M]- 201.05193 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.