CID 139035997

2035466-88-5

Structural Information

Molecular Formula
C42H66S4Si2Sn2
SMILES
CCC[Si](CCC)(CCC)C1=CC=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC=C(S5)[Si](CCC)(CCC)CCC)[Sn](C)(C)C
InChI
InChI=1S/C36H48S4Si2.6CH3.2Sn/c1-7-21-41(22-8-2,23-9-3)31-15-13-29(39-31)33-27-17-19-38-36(27)34(28-18-20-37-35(28)33)30-14-16-32(40-30)42(24-10-4,25-11-5)26-12-6;;;;;;;;/h13-18H,7-12,21-26H2,1-6H3;6*1H3;;
InChIKey
GCHIXOGLTKRECD-UHFFFAOYSA-N
Compound name
[5-[2,6-bis(trimethylstannyl)-4-(5-tripropylsilylthiophen-2-yl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]-tripropylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

994.16296 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 995.17024 314.7
[M+Na]+ 1017.1522 321.9
[M+NH4]+ 1012.1968 320.6
[M+K]+ 1033.1261 309.8
[M-H]- 993.15568 318.9
[M+Na-2H]- 1015.1376 314.5
[M]+ 994.16241 319.2
[M]- 994.16351 319.2
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.