CID 20610159

8-(3,5-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane

Structural Information

Molecular Formula
C13H15F2NO2
SMILES
C1CN(CCC12OCCO2)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C13H15F2NO2/c14-10-7-11(15)9-12(8-10)16-3-1-13(2-4-16)17-5-6-18-13/h7-9H,1-6H2
InChIKey
FMBJMOLJSDJCHW-UHFFFAOYSA-N
Compound name
8-(3,5-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.10709 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.114366 154.8
[M+Na]+ 278.096308 161.9
[M-H]- 254.099814 160.4
[M+NH4]+ 273.140913 171.5
[M+K]+ 294.070248 160.6
[M+H-H2O]+ 238.104350 145.7
[M+HCOO]- 300.105291 169.6
[M+CH3COO]- 314.120941 166.2
[M+Na-2H]- 276.081756 158.2
[M]+ 255.10654142 148.8
[M]- 255.10763858 148.8
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