CID 213808

Brn 1982671

Structural Information

Molecular Formula
C15H22F3NO
SMILES
CCN(CC)CCOCCC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H22F3NO/c1-3-19(4-2)9-11-20-10-8-13-6-5-7-14(12-13)15(16,17)18/h5-7,12H,3-4,8-11H2,1-2H3
InChIKey
RIPLCRCVDMGJDS-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.16534 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17262 167.7
[M+Na]+ 312.15456 173.4
[M-H]- 288.15806 168.0
[M+NH4]+ 307.19916 183.9
[M+K]+ 328.12850 171.0
[M+H-H2O]+ 272.16260 158.0
[M+HCOO]- 334.16354 187.2
[M+CH3COO]- 348.17919 208.8
[M+Na-2H]- 310.14001 170.3
[M]+ 289.16479 168.0
[M]- 289.16589 168.0
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.