CID 67514894

1271439-08-7

Structural Information

Molecular Formula
C40H70O2S2Sn2
SMILES
CCCCCCC(CCCC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CCCC)CCCCCC)[Sn](C)(C)C
InChI
InChI=1S/C34H52O2S2.6CH3.2Sn/c1-5-9-13-15-19-27(17-11-7-3)25-35-31-29-21-23-38-34(29)32(30-22-24-37-33(30)31)36-26-28(18-12-8-4)20-16-14-10-6-2;;;;;;;;/h21-22,27-28H,5-20,25-26H2,1-4H3;6*1H3;;
InChIKey
SWDLPBRTONKXQI-UHFFFAOYSA-N
Compound name
[4,8-bis(2-butyloctoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

886.28613 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 887.29341 310.1
[M+Na]+ 909.27535 315.6
[M+NH4]+ 904.31995 314.2
[M+K]+ 925.24929 303.7
[M-H]- 885.27885 310.2
[M+Na-2H]- 907.26080 305.7
[M]+ 886.28558 312.0
[M]- 886.28668 312.0
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

patents stripe