CID 63047987

1-[3-(2-fluorophenyl)-1h-pyrazol-5-yl]piperazine dihydrochloride

Structural Information

Molecular Formula
C13H15FN4
SMILES
C1CN(CCN1)C2=NNC(=C2)C3=CC=CC=C3F
InChI
InChI=1S/C13H15FN4/c14-11-4-2-1-3-10(11)12-9-13(17-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2,(H,16,17)
InChIKey
OVGQQXPIRFSIHG-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13536 156.3
[M+Na]+ 269.11730 162.7
[M-H]- 245.12080 156.2
[M+NH4]+ 264.16190 167.9
[M+K]+ 285.09124 156.0
[M+H-H2O]+ 229.12534 144.9
[M+HCOO]- 291.12628 169.4
[M+CH3COO]- 305.14193 165.2
[M+Na-2H]- 267.10275 158.3
[M]+ 246.12753 147.1
[M]- 246.12863 147.1
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.