CID 16683252

Nsc654605

Structural Information

Molecular Formula
C28H26O5Sn
SMILES
COC1=CC(=C(C=C1C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C10H12O5.3C6H5.Sn/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12;3*1-2-4-6-5-3-1;/h4-5H,1-3H3,(H,11,12);3*1-5H;/q;;;;+1/p-1
InChIKey
MUUXMIUZOYWJOF-UHFFFAOYSA-M
Compound name
triphenylstannyl 2,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.0802 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.08748 232.4
[M+Na]+ 585.06942 235.9
[M-H]- 561.07292 243.3
[M+NH4]+ 580.11402 238.2
[M+K]+ 601.04336 231.7
[M+H-H2O]+ 545.07746 218.9
[M+HCOO]- 607.07840 250.7
[M+CH3COO]- 621.09405 235.9
[M+Na-2H]- 583.05487 232.5
[M]+ 562.07965 236.5
[M]- 562.08075 236.5
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.