CID 121552566

2792217-31-1

Structural Information

Molecular Formula
C7H9F2N3
SMILES
C1CNCC2=C1NN=C2C(F)F
InChI
InChI=1S/C7H9F2N3/c8-7(9)6-4-3-10-2-1-5(4)11-12-6/h7,10H,1-3H2,(H,11,12)
InChIKey
ZTJOBDVNMYVDQP-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07645 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.083726 134.2
[M+Na]+ 196.065668 141.8
[M-H]- 172.069174 129.0
[M+NH4]+ 191.110273 151.8
[M+K]+ 212.039608 137.7
[M+H-H2O]+ 156.073710 125.2
[M+HCOO]- 218.074651 147.2
[M+CH3COO]- 232.090301 144.7
[M+Na-2H]- 194.051116 137.8
[M]+ 173.07590142 125.5
[M]- 173.07699858 125.5
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.