CID 9814730

376348-77-5

Structural Information

Molecular Formula
C16H21F2NO2
SMILES
C1CC(CCC1C(=O)N[C@@H](CCO)C2=CC=CC=C2)(F)F
InChI
InChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21)/t14-/m0/s1
InChIKey
OOIJZFMUKIGIRX-AWEZNQCLSA-N
Compound name
4,4-difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

297.15402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16130 171.0
[M+Na]+ 320.14324 178.6
[M+NH4]+ 315.18784 178.1
[M+K]+ 336.11718 171.0
[M-H]- 296.14674 171.1
[M+Na-2H]- 318.12869 176.2
[M]+ 297.15347 171.8
[M]- 297.15457 171.8
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