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
2
Annotation Hits

0
References

31
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 169.5
[M+Na]+ 320.14324 172.6
[M-H]- 296.14674 170.8
[M+NH4]+ 315.18784 184.9
[M+K]+ 336.11718 168.8
[M+H-H2O]+ 280.15128 160.6
[M+HCOO]- 342.15222 184.8
[M+CH3COO]- 356.16787 201.8
[M+Na-2H]- 318.12869 170.1
[M]+ 297.15347 161.7
[M]- 297.15457 161.7
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