CID 3070829

1-(2,5-dinitrophenoxy)silatrane

Structural Information

Molecular Formula
C12H15N3O8Si
SMILES
C1CO[Si]2(OCCN1CCO2)OC3=C(C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O8Si/c16-14(17)10-1-2-11(15(18)19)12(9-10)23-24-20-6-3-13(4-7-21-24)5-8-22-24/h1-2,9H,3-8H2
InChIKey
DWHFWWIHSPHMMJ-UHFFFAOYSA-N
Compound name
1-(2,5-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 114.7
[M+Na]+ 380.05206 114.7
[M-H]- 356.05556 114.7
[M+NH4]+ 375.09666 114.7
[M+K]+ 396.02600 114.7
[M+H-H2O]+ 340.06010 114.6
[M+HCOO]- 402.06104 114.6
[M+CH3COO]- 416.07669 254.2
[M+Na-2H]- 378.03751 114.5
[M]+ 357.06229 114.6
[M]- 357.06339 114.6
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.