CID 16683945

3644-38-0

Structural Information

Molecular Formula
C18H27Cl5OSn
SMILES
CCCC[Sn](CCCC)(CCCC)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
AGSMIWJKNRFJRL-UHFFFAOYSA-M
Compound name
tributyl-(2,3,4,5,6-pentachlorophenoxy)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

553.95264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.95992 218.7
[M+Na]+ 576.94186 225.4
[M-H]- 552.94536 215.9
[M+NH4]+ 571.98646 228.7
[M+K]+ 592.91580 217.6
[M+H-H2O]+ 536.94990 214.0
[M+HCOO]- 598.95084 211.5
[M+CH3COO]- 612.96649 234.1
[M+Na-2H]- 574.92731 211.8
[M]+ 553.95209 224.3
[M]- 553.95319 224.3
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

patents stripe