CID 139034053

1887135-97-8

Structural Information

Molecular Formula
C48H74S6Sn2
SMILES
CCCCCCCCCCCCSC1=CC=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC=C(S5)SCCCCCCCCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C42H56S6.6CH3.2Sn/c1-3-5-7-9-11-13-15-17-19-21-29-43-37-25-23-35(47-37)39-33-27-31-46-42(33)40(34-28-32-45-41(34)39)36-24-26-38(48-36)44-30-22-20-18-16-14-12-10-8-6-4-2;;;;;;;;/h23-28H,3-22,29-30H2,1-2H3;6*1H3;;
InChIKey
CMMAONAKNRBTBR-UHFFFAOYSA-N
Compound name
[4,8-bis(5-dodecylsulfanylthiophen-2-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

1082.2158 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1083.2231 301.1
[M+Na]+ 1105.2050 306.8
[M+NH4]+ 1100.2496 306.4
[M+K]+ 1121.1790 291.6
[M-H]- 1081.2085 305.4
[M+Na-2H]- 1103.1905 299.5
[M]+ 1082.2153 305.6
[M]- 1082.2163 305.6
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.