CID 2735461

(1-benzothiophen-2-yl)tributylstannane

Structural Information

Molecular Formula
C20H32SSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC2=CC=CC=C2S1
InChI
InChI=1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKey
UJPVMOUQRNYNSA-UHFFFAOYSA-N
Compound name
1-benzothiophen-2-yl(tributyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

424.12466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13194 202.7
[M+Na]+ 447.11388 208.4
[M-H]- 423.11738 205.6
[M+NH4]+ 442.15848 220.2
[M+K]+ 463.08782 201.9
[M+H-H2O]+ 407.12192 195.2
[M+HCOO]- 469.12286 217.5
[M+CH3COO]- 483.13851 213.8
[M+Na-2H]- 445.09933 200.9
[M]+ 424.12411 210.1
[M]- 424.12521 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe