CID 53473953

(4-dodecyl-2-thienyl)trimethylstannane

Structural Information

Molecular Formula
C19H36SSn
SMILES
CCCCCCCCCCCCC1=CSC(=C1)[Sn](C)(C)C
InChI
InChI=1S/C16H27S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;;;/h13,15H,2-12H2,1H3;3*1H3;
InChIKey
NXMNRXFRPTUJIC-UHFFFAOYSA-N
Compound name
(4-dodecylthiophen-2-yl)-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

416.15598 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16326 203.4
[M+Na]+ 439.14520 206.9
[M-H]- 415.14870 204.8
[M+NH4]+ 434.18980 220.1
[M+K]+ 455.11914 201.5
[M+H-H2O]+ 399.15324 195.7
[M+HCOO]- 461.15418 217.0
[M+CH3COO]- 475.16983 213.9
[M+Na-2H]- 437.13065 198.0
[M]+ 416.15543 210.2
[M]- 416.15653 210.2
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