CID 16728105

4-[2,8-bis(trifluoromethyl)-4-quinolyl]morpholine

Structural Information

Molecular Formula
C15H12F6N2O
SMILES
C1COCCN1C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(23-4-6-24-7-5-23)8-12(15(19,20)21)22-13(9)10/h1-3,8H,4-7H2
InChIKey
KGLHWLQRMULYDW-UHFFFAOYSA-N
Compound name
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.0854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09268 178.7
[M+Na]+ 373.07462 187.6
[M-H]- 349.07812 176.1
[M+NH4]+ 368.11922 188.6
[M+K]+ 389.04856 182.4
[M+H-H2O]+ 333.08266 164.6
[M+HCOO]- 395.08360 184.9
[M+CH3COO]- 409.09925 210.7
[M+Na-2H]- 371.06007 182.3
[M]+ 350.08485 168.6
[M]- 350.08595 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.