CID 16684376

Tris(dibutylbis(hydroxyethylthio)tin) bis(boric acid ester)

Structural Information

Molecular Formula
C36H76B2O6S6Sn3
SMILES
[B]C(CC)O[Sn](CCCC)(CCCSB(SCCC[Sn](CCCC)(COCC)OCCS)S/C=C\O[Sn](CCCC)(/C=C\CC)OCCS)OCCS
InChI
InChI=1S/C8H15BOS3.3C4H9.C4H7.C3H6BO.C3H7O.3C2H5OS.3Sn/c1-3-6-11-9(12-7-4-2)13-8-5-10;4*1-3-4-2;1-2-3(4)5;1-3-4-2;3*3-1-2-4;;;/h5,8,10H,1-4,6-7H2;3*1,3-4H2,2H3;1,3H,4H2,2H3;3H,2H2,1H3;2-3H2,1H3;3*4H,1-2H2;;;/q;;;;;-1;;3*-1;+1;2*+2/p-1/b8-5-;;;;;;;;;;;;
InChIKey
UINXZIQQMWCXSX-ZOGBMUFQSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1178.1218 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1179.1291 322.9
[M+Na]+ 1201.1110 333.5
[M+NH4]+ 1196.1556 327.5
[M+K]+ 1217.0850 323.6
[M-H]- 1177.1145 309.9
[M+Na-2H]- 1199.0965 319.5
[M]+ 1178.1213 322.3
[M]- 1178.1223 322.3
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.