CID 16683178

Nsc633513

Structural Information

Molecular Formula
C29H38O2Sn2
SMILES
CCCC[Sn]1(OCC(O1)C[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC
InChI
InChI=1S/3C6H5.2C4H9.C3H5O2.2Sn/c3*1-2-4-6-5-3-1;2*1-3-4-2;1-3(5)2-4;;/h3*1-5H;2*1,3-4H2,2H3;3H,1-2H2;;/q;;;;;-2;;+2
InChIKey
NMDHJVKGHNGJLN-UHFFFAOYSA-N
Compound name
(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl-triphenylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.0916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.09888 253.8
[M+Na]+ 681.08082 254.2
[M-H]- 657.08432 263.7
[M+NH4]+ 676.12542 260.4
[M+K]+ 697.05476 249.1
[M+H-H2O]+ 641.08886 241.3
[M+HCOO]- 703.08980 267.2
[M+CH3COO]- 717.10545 237.7
[M+Na-2H]- 679.06627 250.5
[M]+ 658.09105 254.8
[M]- 658.09215 254.8
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.