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[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

191.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07431 138.0
[M+Na]+ 214.05625 146.4
[M-H]- 190.05975 131.7
[M+NH4]+ 209.10085 155.0
[M+K]+ 230.03019 141.7
[M+H-H2O]+ 174.06429 128.7
[M+HCOO]- 236.06523 149.2
[M+CH3COO]- 250.08088 175.5
[M+Na-2H]- 212.04170 142.9
[M]+ 191.06648 128.2
[M]- 191.06758 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