CID 13634922

1-(3-fluorophenyl)silatran-3-one

Structural Information

Molecular Formula
C12H14FNO4Si
SMILES
C1CO[Si]2(OCCN1CC(=O)O2)C3=CC=CC(=C3)F
InChI
InChI=1S/C12H14FNO4Si/c13-10-2-1-3-11(8-10)19-16-6-4-14(5-7-17-19)9-12(15)18-19/h1-3,8H,4-7,9H2
InChIKey
WDSFIEHSIYCKJY-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07491 169.9
[M+Na]+ 306.05685 169.9
[M+NH4]+ 301.10145 169.9
[M+K]+ 322.03079 169.9
[M-H]- 282.06035 169.9
[M+Na-2H]- 304.04230 169.9
[M]+ 283.06708 169.9
[M]- 283.06818 169.9
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.