CID 71315272

1391052-53-1

Structural Information

Molecular Formula
C21H23ClFNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2
InChIKey
URVMQMKGIVIILI-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

375.14014 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14742 188.4
[M+Na]+ 398.12936 194.2
[M-H]- 374.13286 192.9
[M+NH4]+ 393.17396 200.6
[M+K]+ 414.10330 186.9
[M+H-H2O]+ 358.13740 178.3
[M+HCOO]- 420.13834 198.5
[M+CH3COO]- 434.15399 213.3
[M+Na-2H]- 396.11481 188.3
[M]+ 375.13959 185.8
[M]- 375.14069 185.8
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