CID 133083198

1444200-40-1

Structural Information

Molecular Formula
C44H58S6Sn2
SMILES
CCCCC(CC)CC1=CC2=C(S1)C=C(S2)C3=C4C=C(SC4=C(C5=C3SC(=C5)[Sn](C)(C)C)C6=CC7=C(S6)C=C(S7)CC(CC)CCCC)[Sn](C)(C)C
InChI
InChI=1S/C38H40S6.6CH3.2Sn/c1-5-9-11-23(7-3)17-25-19-29-31(41-25)21-33(43-29)35-27-13-15-40-38(27)36(28-14-16-39-37(28)35)34-22-32-30(44-34)20-26(42-32)18-24(8-4)12-10-6-2;;;;;;;;/h13-14,19-24H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
OBJGKIDTANNASL-UHFFFAOYSA-N
Compound name
[4,8-bis[2-(2-ethylhexyl)thieno[3,2-b]thiophen-5-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1018.0907 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1019.0980 319.2
[M+Na]+ 1041.0799 330.1
[M-H]- 1017.0834 328.0
[M+NH4]+ 1036.1245 329.6
[M+K]+ 1057.0539 323.4
[M+H-H2O]+ 1001.0880 323.8
[M+HCOO]- 1063.0889 312.9
[M+CH3COO]- 1077.1046 320.2
[M+Na-2H]- 1039.0654 314.3
[M]+ 1018.0902 331.4
[M]- 1018.0912 331.4
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.