CID 3070674

1-(2,4-dinitrophenoxy)silatrane

Structural Information

Molecular Formula
C12H15N3O8Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O8Si/c16-14(17)10-1-2-12(11(9-10)15(18)19)23-24-20-6-3-13(4-7-21-24)5-8-22-24/h1-2,9H,3-8H2
InChIKey
XAUWJRLGLMGHCI-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06284 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07012 169.9
[M+Na]+ 380.05206 169.9
[M+NH4]+ 375.09666 169.9
[M+K]+ 396.02600 169.9
[M-H]- 356.05556 169.9
[M+Na-2H]- 378.03751 169.9
[M]+ 357.06229 169.9
[M]- 357.06339 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.