CID 9862272

138900-27-3

Structural Information

Molecular Formula
C19H18ClFN2
SMILES
C1CNCCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2
InChIKey
YCXCLZSLZGBCTA-UHFFFAOYSA-N
Compound name
5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

328.11426 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12154 176.3
[M+Na]+ 351.10348 185.5
[M-H]- 327.10698 181.3
[M+NH4]+ 346.14808 190.4
[M+K]+ 367.07742 176.1
[M+H-H2O]+ 311.11152 165.8
[M+HCOO]- 373.11246 188.0
[M+CH3COO]- 387.12811 186.1
[M+Na-2H]- 349.08893 177.3
[M]+ 328.11371 173.2
[M]- 328.11481 173.2
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