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
7
Annotation Hits

141
References

6254
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 194.1
[M+Na]+ 442.07885 201.5
[M-H]- 418.08235 201.0
[M+NH4]+ 437.12345 207.5
[M+K]+ 458.05279 188.4
[M+H-H2O]+ 402.08689 190.7
[M+HCOO]- 464.08783 206.6
[M+CH3COO]- 478.10348 217.6
[M+Na-2H]- 440.06430 195.2
[M]+ 419.08908 208.2
[M]- 419.09018 208.2
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.