CID 11769929

5-fluoro-3-(piperidin-4-yl)-1h-indole

Structural Information

Molecular Formula
C13H15FN2
SMILES
C1CNCCC1C2=CNC3=C2C=C(C=C3)F
InChI
InChI=1S/C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChIKey
VQFAITGIMWXQQK-UHFFFAOYSA-N
Compound name
5-fluoro-3-piperidin-4-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

231
Patents

218.12193 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12921 147.2
[M+Na]+ 241.11115 154.8
[M-H]- 217.11465 147.9
[M+NH4]+ 236.15575 164.4
[M+K]+ 257.08509 148.3
[M+H-H2O]+ 201.11919 138.6
[M+HCOO]- 263.12013 163.0
[M+CH3COO]- 277.13578 158.0
[M+Na-2H]- 239.09660 151.1
[M]+ 218.12138 139.8
[M]- 218.12248 139.8
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