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 162.5
[M+Na]+ 322.06372 169.8
[M-H]- 298.06722 158.9
[M+NH4]+ 317.10832 174.0
[M+K]+ 338.03766 165.6
[M+H-H2O]+ 282.07176 150.3
[M+HCOO]- 344.07270 170.0
[M+CH3COO]- 358.08835 197.8
[M+Na-2H]- 320.04917 165.2
[M]+ 299.07395 149.6
[M]- 299.07505 149.6
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.