CID 39882

Brn 1510378

Structural Information

Molecular Formula
C21H23ClFNO3
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C(=O)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H23ClFNO3/c22-17-5-3-16(4-6-17)21(27)10-13-24(14-11-21)12-9-19(25)20(26)15-1-7-18(23)8-2-15/h1-8,19,25,27H,9-14H2
InChIKey
RODWINBWUKUGNT-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-2-hydroxybutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.13504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14232 190.3
[M+Na]+ 414.12426 195.3
[M-H]- 390.12776 193.7
[M+NH4]+ 409.16886 201.0
[M+K]+ 430.09820 188.6
[M+H-H2O]+ 374.13230 181.0
[M+HCOO]- 436.13324 198.3
[M+CH3COO]- 450.14889 214.1
[M+Na-2H]- 412.10971 189.1
[M]+ 391.13449 187.0
[M]- 391.13559 187.0
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.