CID 76847169

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

Structural Information

Molecular Formula
C7H4F3N3
SMILES
C1=C2C=NNC2=C(C=N1)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)5-3-11-1-4-2-12-13-6(4)5/h1-3H,(H,12,13)
InChIKey
FXGYCCBUSFVGSN-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.043016 132.5
[M+Na]+ 210.024958 144.4
[M-H]- 186.028464 128.7
[M+NH4]+ 205.069563 150.6
[M+K]+ 225.998898 139.9
[M+H-H2O]+ 170.033000 123.1
[M+HCOO]- 232.033941 149.5
[M+CH3COO]- 246.049591 145.1
[M+Na-2H]- 208.010406 140.9
[M]+ 187.03519142 128.9
[M]- 187.03628858 128.9
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

No patent data available for this compound.