CID 68290270

Ethyl 1-benzyl-4,4-difluoropiperidine-3-carboxylate

Structural Information

Molecular Formula
C15H19F2NO2
SMILES
CCOC(=O)C1CN(CCC1(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C15H19F2NO2/c1-2-20-14(19)13-11-18(9-8-15(13,16)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
QOHOSDXPUXGUNY-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4,4-difluoropiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.1384 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14568 164.6
[M+Na]+ 306.12762 170.6
[M-H]- 282.13112 166.5
[M+NH4]+ 301.17222 180.8
[M+K]+ 322.10156 167.4
[M+H-H2O]+ 266.13566 154.9
[M+HCOO]- 328.13660 180.5
[M+CH3COO]- 342.15225 199.3
[M+Na-2H]- 304.11307 166.3
[M]+ 283.13785 160.5
[M]- 283.13895 160.5
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