CID 10113945

171338-27-5

Structural Information

Molecular Formula
C20H18F7NO2
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1
InChIKey
AFBDSAJOMZYQAI-CNOZUTPLSA-N
Compound name
(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

167
Patents

437.1226 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.12988 200.3
[M+Na]+ 460.11182 207.0
[M-H]- 436.11532 198.4
[M+NH4]+ 455.15642 205.9
[M+K]+ 476.08576 201.1
[M+H-H2O]+ 420.11986 185.1
[M+HCOO]- 482.12080 204.4
[M+CH3COO]- 496.13645 225.5
[M+Na-2H]- 458.09727 198.1
[M]+ 437.12205 188.3
[M]- 437.12315 188.3
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.