CID 16685241

Tricyclohexyl(tricyclohexylstannylsulfanyl)stannane

Structural Information

Molecular Formula

C₃₆H₆₆SSn₂

SMILES

C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)S[Sn](C4CCCCC4)(C5CCCCC5)C6CCCCC6

InChI

InChI=1S/6C6H11.S.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1H,2-6H2;;;

InChIKey

NBTHYJWPOYZDHL-UHFFFAOYSA-N

Compound name

tricyclohexyl(tricyclohexylstannylsulfanyl)stannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
Patents: 770.2929 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	771.30018	263.2
[M+Na]+	793.28212	246.0
[M-H]-	769.28562	268.2
[M+NH4]+	788.32672	261.5
[M+K]+	809.25606	238.9
[M+H-H2O]+	753.29016	247.8
[M+HCOO]-	815.29110	249.8
[M+CH3COO]-	829.30675	256.8
[M+Na-2H]-	791.26757	247.7
[M]+	770.29235	235.8
[M]-	770.29345	235.8

Literature stripe

literature stripe

Patent stripe

patents stripe