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 217.5
[M+Na]+ 537.07247 216.0
[M-H]- 513.07597 228.1
[M+NH4]+ 532.11707 219.1
[M+K]+ 553.04641 205.6
[M+H-H2O]+ 497.08051 213.1
[M+HCOO]- 559.08145 236.9
[M+CH3COO]- 573.09710 225.1
[M+Na-2H]- 535.05792 224.5
[M]+ 514.08270 214.4
[M]- 514.08380 214.4
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.