CID 14847516

75457-52-2

Structural Information

Molecular Formula
C37H70O8S3Sn
SMILES
CCCCC(CC)COC(=O)CS[Sn](CCC(=O)OCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/3C10H20O2S.C7H13O2.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-6-9-7(8)4-2;/h3*9,13H,3-8H2,1-2H3;2-6H2,1H3;/q;;;;+3/p-3
InChIKey
PHBVTDBCMMRERU-UHFFFAOYSA-K
Compound name
butyl 3-tris[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]stannylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

858.3255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.33278 318.4
[M+Na]+ 881.31472 318.5
[M-H]- 857.31822 305.6
[M+NH4]+ 876.35932 329.7
[M+K]+ 897.28866 326.8
[M+H-H2O]+ 841.32276 318.4
[M+HCOO]- 903.32370 309.3
[M+CH3COO]- 917.33935 284.5
[M+Na-2H]- 879.30017 297.7
[M]+ 858.32495 322.5
[M]- 858.32605 322.5
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.