PubChemLite - 4,8-bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene (C32H54O2S2Sn2)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CC)CCCC)[Sn](C)(C)C

InChI

InChI=1S/C26H36O2S2.6CH3.2Sn/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;

InChIKey

XXMOZDBOAIICDA-UHFFFAOYSA-N

Compound name

[4,8-bis(2-ethylhexoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	775.16823	287.3
[M+Na]+	797.15017	290.2
[M-H]-	773.15367	289.5
[M+NH4]+	792.19477	297.3
[M+K]+	813.12411	283.2
[M+H-H2O]+	757.15821	279.8
[M+HCOO]-	819.15915	289.8
[M+CH3COO]-	833.17480	265.1
[M+Na-2H]-	795.13562	276.2
[M]+	774.16040	303.4
[M]-	774.16150	303.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

775.16823

287.3

[M+Na]+

797.15017

290.2

[M-H]-

773.15367

289.5

[M+NH4]+

792.19477

297.3

[M+K]+

813.12411

283.2

[M+H-H2O]+

757.15821

279.8

[M+HCOO]-

819.15915

289.8

[M+CH3COO]-

833.17480

265.1

[M+Na-2H]-

795.13562

276.2

[M]+

774.16040

303.4

[M]-

774.16150

303.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4,8-bis[(2-ethylhexyl)oxy]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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