CID 9570255

Mellite 131

Structural Information

Molecular Formula
C30H60O4S2Sn
SMILES
CCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCC
InChI
InChI=1S/2C11H22O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-13-11(12)10-14;2*1-3-4-2;/h2*14H,2-10H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
IMMAIXAHGHWJEU-UHFFFAOYSA-L
Compound name
nonyl 2-[dibutyl-(2-nonoxy-2-oxoethyl)sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

668.29553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.30281 264.9
[M+Na]+ 691.28475 270.9
[M+NH4]+ 686.32935 267.0
[M+K]+ 707.25869 264.6
[M-H]- 667.28825 249.9
[M+Na-2H]- 689.27020 264.2
[M]+ 668.29498 262.1
[M]- 668.29608 262.1
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