CID 4541

Norfluoxetine

Structural Information

Molecular Formula
C16H16F3NO
SMILES
C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKey
WIQRCHMSJFFONW-UHFFFAOYSA-N
Compound name
3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

294
References

4231
Patents

295.1184 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12568 166.1
[M+Na]+ 318.10762 172.3
[M-H]- 294.11112 168.0
[M+NH4]+ 313.15222 180.5
[M+K]+ 334.08156 167.6
[M+H-H2O]+ 278.11566 155.8
[M+HCOO]- 340.11660 184.6
[M+CH3COO]- 354.13225 204.1
[M+Na-2H]- 316.09307 169.3
[M]+ 295.11785 161.4
[M]- 295.11895 161.4
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.