CID 145909471

2377030-69-6

Structural Information

Molecular Formula
C14H16FN3
SMILES
C1CNCCC1C2=NN(C=C2F)C3=CC=CC=C3
InChI
InChI=1S/C14H16FN3/c15-13-10-18(12-4-2-1-3-5-12)17-14(13)11-6-8-16-9-7-11/h1-5,10-11,16H,6-9H2
InChIKey
PAXHCDJJSIYXPE-UHFFFAOYSA-N
Compound name
4-(4-fluoro-1-phenylpyrazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.13283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14011 155.8
[M+Na]+ 268.12205 162.1
[M-H]- 244.12555 158.2
[M+NH4]+ 263.16665 169.5
[M+K]+ 284.09599 156.3
[M+H-H2O]+ 228.13009 144.8
[M+HCOO]- 290.13103 171.4
[M+CH3COO]- 304.14668 165.7
[M+Na-2H]- 266.10750 157.8
[M]+ 245.13228 148.2
[M]- 245.13338 148.2
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

No patent data available for this compound.