CID 9879220

376348-78-6

Structural Information

Molecular Formula
C16H19F2NO2
SMILES
C1CC(CCC1C(=O)N[C@@H](CC=O)C2=CC=CC=C2)(F)F
InChI
InChI=1S/C16H19F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H,19,21)/t14-/m0/s1
InChIKey
FCEMFOOGKQYYIR-AWEZNQCLSA-N
Compound name
4,4-difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

295.1384 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14568 168.1
[M+Na]+ 318.12762 171.8
[M-H]- 294.13112 170.8
[M+NH4]+ 313.17222 184.2
[M+K]+ 334.10156 168.3
[M+H-H2O]+ 278.13566 158.9
[M+HCOO]- 340.13660 185.1
[M+CH3COO]- 354.15225 203.5
[M+Na-2H]- 316.11307 169.1
[M]+ 295.13785 161.4
[M]- 295.13895 161.4
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

patents stripe