PubChemLite - 1089687-06-8 (C30H54S2SiSn2)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)C[Si]1(C2=C(C3=C1C=C(S3)[Sn](C)(C)C)SC(=C2)[Sn](C)(C)C)CC(CC)CCCC

InChI

InChI=1S/C24H36S2Si.6CH3.2Sn/c1-5-9-11-19(7-3)17-27(18-20(8-4)12-10-6-2)21-13-15-25-23(21)24-22(27)14-16-26-24;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;

InChIKey

KJEMHVQXPBRUNL-UHFFFAOYSA-N

Compound name

[7,7-bis(2-ethylhexyl)-10-trimethylstannyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-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]+	747.15528	277.3
[M+Na]+	769.13722	280.9
[M-H]-	745.14072	279.6
[M+NH4]+	764.18182	292.9
[M+K]+	785.11116	273.8
[M+H-H2O]+	729.14526	272.4
[M+HCOO]-	791.14620	279.5
[M+CH3COO]-	805.16185	257.4
[M+Na-2H]-	767.12267	265.5
[M]+	746.14745	290.3
[M]-	746.14855	290.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

747.15528

277.3

[M+Na]+

769.13722

280.9

[M-H]-

745.14072

279.6

[M+NH4]+

764.18182

292.9

[M+K]+

785.11116

273.8

[M+H-H2O]+

729.14526

272.4

[M+HCOO]-

791.14620

279.5

[M+CH3COO]-

805.16185

257.4

[M+Na-2H]-

767.12267

265.5

[M]+

746.14745

290.3

[M]-

746.14855

290.3

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

1089687-06-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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