CID 3057530

74051-18-6

Structural Information

Molecular Formula
C14H20F3NO
SMILES
CCOCCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H20F3NO/c1-3-19-8-7-18-11(2)9-12-5-4-6-13(10-12)14(15,16)17/h4-6,10-11,18H,3,7-9H2,1-2H3
InChIKey
COMMVUADGSWDNR-UHFFFAOYSA-N
Compound name
N-(2-ethoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15698 163.1
[M+Na]+ 298.13892 168.8
[M-H]- 274.14242 162.1
[M+NH4]+ 293.18352 179.1
[M+K]+ 314.11286 165.7
[M+H-H2O]+ 258.14696 153.9
[M+HCOO]- 320.14790 181.4
[M+CH3COO]- 334.16355 203.2
[M+Na-2H]- 296.12437 165.7
[M]+ 275.14915 161.1
[M]- 275.15025 161.1
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

No patent data available for this compound.