CID 20610159

494861-58-4

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]+ 256.11437 154.8
[M+Na]+ 278.09631 161.9
[M-H]- 254.09981 160.4
[M+NH4]+ 273.14091 171.5
[M+K]+ 294.07025 160.6
[M+H-H2O]+ 238.10435 145.7
[M+HCOO]- 300.10529 169.6
[M+CH3COO]- 314.12094 166.2
[M+Na-2H]- 276.08176 158.2
[M]+ 255.10654 148.8
[M]- 255.10764 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