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]+ 238.123776 163.7
[M+Na]+ 260.105718 168.1
[M-H]- 236.109224 165.1
[M+NH4]+ 255.150323 171.7
[M+K]+ 276.079658 168.2
[M+H-H2O]+ 220.113760 159.1
[M+HCOO]- 282.114701 169.5
[M+CH3COO]- 296.130351 167.5
[M+Na-2H]- 258.091166 163.5
[M]+ 237.11595142 161.4
[M]- 237.11704858 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.