CID 44383839

3-(3-fluorophenyl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C12H12FN3
SMILES
C1CNCC2=C1NN=C2C3=CC(=CC=C3)F
InChI
InChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)12-10-7-14-5-4-11(10)15-16-12/h1-3,6,14H,4-5,7H2,(H,15,16)
InChIKey
UQWCTORHRVKVAN-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

217.10153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.108806 147.2
[M+Na]+ 240.090748 155.2
[M-H]- 216.094254 146.6
[M+NH4]+ 235.135353 162.9
[M+K]+ 256.064688 148.7
[M+H-H2O]+ 200.098790 137.7
[M+HCOO]- 262.099731 161.9
[M+CH3COO]- 276.115381 157.6
[M+Na-2H]- 238.076196 151.5
[M]+ 217.10098142 140.0
[M]- 217.10207858 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe