CID 44154339

84030-42-2

Structural Information

Molecular Formula
C48H96O4S2Sn
SMILES
CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC
InChI
InChI=1S/2C12H24O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2
InChIKey
DSZRMMSYVNJDKA-UHFFFAOYSA-L
Compound name
decyl 2-[(2-decoxy-2-oxoethyl)sulfanyl-didodecylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

920.5772 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 921.58448 340.0
[M+Na]+ 943.56642 339.0
[M-H]- 919.56992 314.9
[M+NH4]+ 938.61102 341.4
[M+K]+ 959.54036 349.2
[M+H-H2O]+ 903.57446 335.8
[M+HCOO]- 965.57540 338.2
[M+CH3COO]- 979.59105 304.4
[M+Na-2H]- 941.55187 313.4
[M]+ 920.57665 341.3
[M]- 920.57775 341.3
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

No patent data available for this compound.