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

41
Patents

309.13406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.141336 170.3
[M+Na]+ 332.123278 176.0
[M-H]- 308.126784 172.4
[M+NH4]+ 327.167883 184.4
[M+K]+ 348.097218 171.4
[M+H-H2O]+ 292.131320 159.6
[M+HCOO]- 354.132261 189.0
[M+CH3COO]- 368.147911 207.7
[M+Na-2H]- 330.108726 173.9
[M]+ 309.13351142 166.9
[M]- 309.13460858 166.9
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