CID 129852992

1320201-22-6

Structural Information

Molecular Formula
C56H102O2S2Sn2
SMILES
CCCCCCCCCCC(CCCCCCCC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CCCCCCCC)CCCCCCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C50H84O2S2.6CH3.2Sn/c1-5-9-13-17-21-23-27-31-35-43(33-29-25-19-15-11-7-3)41-51-47-45-37-39-54-50(45)48(46-38-40-53-49(46)47)52-42-44(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;;;;;;;;/h37-38,43-44H,5-36,41-42H2,1-4H3;6*1H3;;
InChIKey
AZENTBKKKXIGMB-UHFFFAOYSA-N
Compound name
[4,8-bis(2-octyldodecoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1110.5365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1111.5438 369.1
[M+Na]+ 1133.5257 333.8
[M+NH4]+ 1128.5703 329.4
[M+K]+ 1149.4997 330.1
[M-H]- 1109.5292 308.2
[M+Na-2H]- 1131.5112 361.6
[M]+ 1110.5360 325.6
[M]- 1110.5370 325.6
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

No patent data available for this compound.