CID 3024530

96122-79-1

Structural Information

Molecular Formula
C26H27F2NO2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H27F2NO2/c27-23-10-6-20(7-11-23)25(21-8-12-24(28)13-9-21)31-19-18-29-16-14-26(30,15-17-29)22-4-2-1-3-5-22/h1-13,25,30H,14-19H2
InChIKey
HMTVOQUISWRKNX-UHFFFAOYSA-N
Compound name
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.201 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20828 205.3
[M+Na]+ 446.19022 209.0
[M-H]- 422.19372 211.0
[M+NH4]+ 441.23482 213.6
[M+K]+ 462.16416 201.8
[M+H-H2O]+ 406.19826 191.2
[M+HCOO]- 468.19920 217.9
[M+CH3COO]- 482.21485 211.5
[M+Na-2H]- 444.17567 204.3
[M]+ 423.20045 198.8
[M]- 423.20155 198.8
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.