CID 3069305

84509-26-2

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C1CC2(OCC(O2)CNC1)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H16FNO2/c14-11-4-2-10(3-5-11)13-6-1-7-15-8-12(17-13)9-16-13/h2-5,12,15H,1,6-9H2
InChIKey
GJLIAPBJAORBTB-UHFFFAOYSA-N
Compound name
7-(4-fluorophenyl)-8,10-dioxa-3-azabicyclo[5.2.1]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1165 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 163.7
[M+Na]+ 260.10572 168.1
[M-H]- 236.10922 165.1
[M+NH4]+ 255.15032 171.7
[M+K]+ 276.07966 168.2
[M+H-H2O]+ 220.11376 159.1
[M+HCOO]- 282.11470 169.5
[M+CH3COO]- 296.13035 167.5
[M+Na-2H]- 258.09117 163.5
[M]+ 237.11595 161.4
[M]- 237.11705 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.