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]+ 174.08373 134.2
[M+Na]+ 196.06567 141.8
[M-H]- 172.06917 129.0
[M+NH4]+ 191.11027 151.8
[M+K]+ 212.03961 137.7
[M+H-H2O]+ 156.07371 125.2
[M+HCOO]- 218.07465 147.2
[M+CH3COO]- 232.09030 144.7
[M+Na-2H]- 194.05112 137.8
[M]+ 173.07590 125.5
[M]- 173.07700 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.