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 148.3
[M+Na]+ 254.07632 154.4
[M-H]- 230.07982 148.3
[M+NH4]+ 249.12092 162.5
[M+K]+ 270.05026 151.3
[M+H-H2O]+ 214.08436 138.5
[M+HCOO]- 276.08530 161.0
[M+CH3COO]- 290.10095 185.1
[M+Na-2H]- 252.06177 153.4
[M]+ 231.08655 139.1
[M]- 231.08765 139.1
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

patents stripe