CID 3075966

Diphenylsilanediol bis(2,4-dinitrobenzoate)

Structural Information

Molecular Formula
C26H16N4O12Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C26H16N4O12Si/c31-25(21-13-11-17(27(33)34)15-23(21)29(37)38)41-43(19-7-3-1-4-8-19,20-9-5-2-6-10-20)42-26(32)22-14-12-18(28(35)36)16-24(22)30(39)40/h1-16H
InChIKey
QHPREWLYQOTJOA-UHFFFAOYSA-N
Compound name
[(2,4-dinitrobenzoyl)oxy-diphenylsilyl] 2,4-dinitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.0534 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.06068 206.1
[M+Na]+ 627.04262 215.3
[M-H]- 603.04612 215.8
[M+NH4]+ 622.08722 220.0
[M+K]+ 643.01656 210.3
[M+H-H2O]+ 587.05066 185.9
[M+HCOO]- 649.05160 226.2
[M+CH3COO]- 663.06725 229.0
[M+Na-2H]- 625.02807 204.0
[M]+ 604.05285 194.6
[M]- 604.05395 194.6
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.