CID 61689765

2-[3,5-bis(trifluoromethyl)phenyl]morpholine

Structural Information

Molecular Formula
C12H11F6NO
SMILES
C1COC(CN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C12H11F6NO/c13-11(14,15)8-3-7(10-6-19-1-2-20-10)4-9(5-8)12(16,17)18/h3-5,10,19H,1-2,6H2
InChIKey
YADZLVYDMFXNIX-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08178 175.8
[M+Na]+ 322.06372 180.6
[M+NH4]+ 317.10832 177.7
[M+K]+ 338.03766 176.6
[M-H]- 298.06722 170.7
[M+Na-2H]- 320.04917 176.1
[M]+ 299.07395 174.6
[M]- 299.07505 174.6
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.