CID 41536

Cloroperone hydrochloride

Structural Information

Molecular Formula
C22H23ClFNO2
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H23ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18H,1-2,11-15H2
InChIKey
OCXLBOACUPDBRL-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

329
Patents

387.14014 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.14742 192.9
[M+Na]+ 410.12936 206.4
[M+NH4]+ 405.17396 199.8
[M+K]+ 426.10330 197.4
[M-H]- 386.13286 196.8
[M+Na-2H]- 408.11481 200.2
[M]+ 387.13959 196.1
[M]- 387.14069 196.1
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