CID 72756505

Norfluoxetine alcohol

Structural Information

Molecular Formula
C16H15F3O2
SMILES
C1=CC=C(C=C1)C(CCO)OC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H15F3O2/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2
InChIKey
WMLVVHKCLDWGLW-UHFFFAOYSA-N
Compound name
3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.10242 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10970 165.3
[M+Na]+ 319.09164 171.9
[M-H]- 295.09514 166.4
[M+NH4]+ 314.13624 179.5
[M+K]+ 335.06558 167.2
[M+H-H2O]+ 279.09968 155.4
[M+HCOO]- 341.10062 182.1
[M+CH3COO]- 355.11627 199.3
[M+Na-2H]- 317.07709 168.7
[M]+ 296.10187 161.9
[M]- 296.10297 161.9
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

No patent data available for this compound.