CID 21904167

N-formylfluoxetine

Structural Information

Molecular Formula
C18H18F3NO2
SMILES
CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C=O
InChI
InChI=1S/C18H18F3NO2/c1-22(13-23)12-11-17(14-5-3-2-4-6-14)24-16-9-7-15(8-10-16)18(19,20)21/h2-10,13,17H,11-12H2,1H3
InChIKey
UBNTUJKGUJSBFQ-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

337.12897 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13625 177.1
[M+Na]+ 360.11819 182.7
[M-H]- 336.12169 180.6
[M+NH4]+ 355.16279 190.5
[M+K]+ 376.09213 179.3
[M+H-H2O]+ 320.12623 165.9
[M+HCOO]- 382.12717 196.4
[M+CH3COO]- 396.14282 215.3
[M+Na-2H]- 358.10364 179.5
[M]+ 337.12842 176.0
[M]- 337.12952 176.0
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.