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

82
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.