CID 45480287

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine hydrochloride

Structural Information

Molecular Formula
C7H8F3N3
SMILES
C1CNCC2=C1C(=NN2)C(F)(F)F
InChI
InChI=1S/C7H8F3N3/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6/h11H,1-3H2,(H,12,13)
InChIKey
USWUQQKHXVZMAO-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

191.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.074306 138.0
[M+Na]+ 214.056248 146.4
[M-H]- 190.059754 131.7
[M+NH4]+ 209.100853 155.0
[M+K]+ 230.030188 141.7
[M+H-H2O]+ 174.064290 128.7
[M+HCOO]- 236.065231 149.2
[M+CH3COO]- 250.080881 175.5
[M+Na-2H]- 212.041696 142.9
[M]+ 191.06648142 128.2
[M]- 191.06757858 128.2
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

patents stripe