CID 2448

Bromperidol

Structural Information

Molecular Formula
C21H23BrFNO2
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChIKey
RKLNONIVDFXQRX-UHFFFAOYSA-N
Compound name
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

141
References

6309
Patents

419.08963 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09691 194.8
[M+Na]+ 442.07885 197.8
[M+NH4]+ 437.12345 199.2
[M+K]+ 458.05279 194.1
[M-H]- 418.08235 196.7
[M+Na-2H]- 440.06430 199.3
[M]+ 419.08908 194.7
[M]- 419.09018 194.7
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