CID 44153332

Einecs 281-817-1

Structural Information

Molecular Formula
C48H94O6S3Sn
SMILES
CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC
InChI
InChI=1S/3C12H24O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-5-7-9-11-12-10-8-6-4-2;/h3*15H,2-11H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3
InChIKey
UMNKGEDHHPRECS-UHFFFAOYSA-K
Compound name
decyl 2-[bis[(2-decoxy-2-oxoethyl)sulfanyl]-dodecylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

982.52344 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 983.53072 349.1
[M+Na]+ 1005.5127 346.0
[M-H]- 981.51616 324.8
[M+NH4]+ 1000.5573 352.6
[M+K]+ 1021.4866 357.0
[M+H-H2O]+ 965.52070 345.5
[M+HCOO]- 1027.5216 344.4
[M+CH3COO]- 1041.5373 307.1
[M+Na-2H]- 1003.4981 322.1
[M]+ 982.52289 352.1
[M]- 982.52399 352.1
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

No patent data available for this compound.