CID 3041273

Brn 3001697

Structural Information

Molecular Formula
C12H14FNO4Si
SMILES
C1CO[Si]2(OCCN1CC(=O)O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C12H14FNO4Si/c13-10-1-3-11(4-2-10)19-16-7-5-14(6-8-17-19)9-12(15)18-19/h1-4H,5-9H2
InChIKey
RMLZFXREHHJMDO-UHFFFAOYSA-N
Compound name
1-(4-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 114.8
[M+Na]+ 306.05685 114.8
[M-H]- 282.06035 114.8
[M+NH4]+ 301.10145 114.8
[M+K]+ 322.03079 114.8
[M+H-H2O]+ 266.06489 114.7
[M+HCOO]- 328.06583 114.7
[M+CH3COO]- 342.08148 114.7
[M+Na-2H]- 304.04230 114.6
[M]+ 283.06708 114.7
[M]- 283.06818 114.7
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.