CID 11344959

127626-06-6

Structural Information

Molecular Formula
C13H13FN2
SMILES
C1CNCC=C1C2=CNC3=C2C=C(C=C3)F
InChI
InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
InChIKey
NOBJPJHWOFGLFA-UHFFFAOYSA-N
Compound name
5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

262
Patents

216.10628 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11356 145.6
[M+Na]+ 239.09550 154.2
[M-H]- 215.09900 146.7
[M+NH4]+ 234.14010 162.9
[M+K]+ 255.06944 147.5
[M+H-H2O]+ 199.10354 137.0
[M+HCOO]- 261.10448 162.9
[M+CH3COO]- 275.12013 157.0
[M+Na-2H]- 237.08095 150.6
[M]+ 216.10573 139.7
[M]- 216.10683 139.7
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