CID 12849907

2243504-22-3

Structural Information

Molecular Formula
C17H18F3NO
SMILES
CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H18F3NO/c1-21-12-11-15(13-7-3-2-4-8-13)22-16-10-6-5-9-14(16)17(18,19)20/h2-10,15,21H,11-12H2,1H3
InChIKey
DGDFMXSZLYHLAC-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

309.13406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14134 173.0
[M+Na]+ 332.12328 182.5
[M+NH4]+ 327.16788 178.6
[M+K]+ 348.09722 175.6
[M-H]- 308.12678 172.8
[M+Na-2H]- 330.10873 179.2
[M]+ 309.13351 174.1
[M]- 309.13461 174.1
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

patents stripe