CID 10655176

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

Structural Information

Molecular Formula
C7H4F3N3
SMILES
C1=CN=CC2=C(NN=C21)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)6-4-3-11-2-1-5(4)12-13-6/h1-3H,(H,12,13)
InChIKey
QVHPHQMHLWQWFX-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04302 132.5
[M+Na]+ 210.02496 144.4
[M-H]- 186.02846 128.7
[M+NH4]+ 205.06956 150.6
[M+K]+ 225.99890 139.9
[M+H-H2O]+ 170.03300 123.1
[M+HCOO]- 232.03394 149.5
[M+CH3COO]- 246.04959 145.1
[M+Na-2H]- 208.01041 140.9
[M]+ 187.03519 128.9
[M]- 187.03629 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

patents stripe