CID 95757165

(3s)-3-[4-(trifluoromethyl)phenyl]morpholine

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1COC[C@@H](N1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
InChIKey
CKCJOQMDMYPVKX-SNVBAGLBSA-N
Compound name
(3S)-3-[4-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

231.0871 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 155.1
[M+Na]+ 254.07632 164.3
[M+NH4]+ 249.12092 160.9
[M+K]+ 270.05026 158.9
[M-H]- 230.07982 154.5
[M+Na-2H]- 252.06177 159.4
[M]+ 231.08655 156.0
[M]- 231.08765 156.0
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

patents stripe