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

literature stripe

Patent stripe

patents stripe