CID 3871090

885950-67-4

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
C1COCCN1C(CN)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)18-5-7-19-8-6-18/h1-4,12H,5-9,17H2
InChIKey
JFZRWJJFLWSVCX-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.1293 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13658 161.8
[M+Na]+ 297.11852 166.3
[M-H]- 273.12202 162.3
[M+NH4]+ 292.16312 174.2
[M+K]+ 313.09246 163.7
[M+H-H2O]+ 257.12656 151.0
[M+HCOO]- 319.12750 174.7
[M+CH3COO]- 333.14315 198.8
[M+Na-2H]- 295.10397 164.4
[M]+ 274.12875 152.8
[M]- 274.12985 152.8
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