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 340.4
[M+Na]+ 1201.1110 332.5
[M-H]- 1177.1145 316.5
[M+NH4]+ 1196.1556 342.5
[M+K]+ 1217.0850 345.6
[M+H-H2O]+ 1161.1191 334.1
[M+HCOO]- 1223.1200 338.3
[M+CH3COO]- 1237.1357 293.8
[M+Na-2H]- 1199.0965 317.0
[M]+ 1178.1213 344.7
[M]- 1178.1223 344.7
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.