CID 3075965

Diphenylsilanediol bis(3-nitrobenzoate)

Structural Information

Molecular Formula
C26H18N2O8Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H18N2O8Si/c29-25(19-9-7-11-21(17-19)27(31)32)35-37(23-13-3-1-4-14-23,24-15-5-2-6-16-24)36-26(30)20-10-8-12-22(18-20)28(33)34/h1-18H
InChIKey
MAXITZFAXKEMKF-UHFFFAOYSA-N
Compound name
[(3-nitrobenzoyl)oxy-diphenylsilyl] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.08325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.09053 214.5
[M+Na]+ 537.07247 229.0
[M+NH4]+ 532.11707 219.0
[M+K]+ 553.04641 227.6
[M-H]- 513.07597 222.9
[M+Na-2H]- 535.05792 224.7
[M]+ 514.08270 218.7
[M]- 514.08380 218.7
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.