CID 139035173

2239295-69-1

Structural Information

Molecular Formula
C40H56Cl2S4Sn2
SMILES
CCCCC(CC)CC1=C(C=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC(=C(S5)CC(CC)CCCC)Cl)[Sn](C)(C)C)Cl
InChI
InChI=1S/C34H38Cl2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
VXLARDDMGOLESE-UHFFFAOYSA-N
Compound name
[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-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

974.0686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 975.07588 313.3
[M+Na]+ 997.05782 322.9
[M+NH4]+ 992.10242 320.0
[M+K]+ 1013.0318 309.4
[M-H]- 973.06132 318.2
[M+Na-2H]- 995.04327 312.2
[M]+ 974.06805 318.6
[M]- 974.06915 318.6
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.