CID 16684305

31732-71-5

Structural Information

Molecular Formula
C28H56Br2O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)[C@@H]([C@@H](C(=O)O[Sn](CCCC)(CCCC)CCCC)Br)Br
InChI
InChI=1S/C4H4Br2O4.6C4H9.2Sn/c5-1(3(7)8)2(6)4(9)10;6*1-3-4-2;;/h1-2H,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/t1-,2+;;;;;;;;
InChIKey
JOMPHQTZQORMCX-JOYJRDNUSA-L
Compound name
bis(tributylstannyl) (2R,3S)-2,3-dibromobutanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

854.05896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 855.06624 316.9
[M+Na]+ 877.04818 323.1
[M-H]- 853.05168 312.5
[M+NH4]+ 872.09278 324.5
[M+K]+ 893.02212 325.9
[M+H-H2O]+ 837.05622 315.1
[M+HCOO]- 899.05716 319.6
[M+CH3COO]- 913.07281 261.7
[M+Na-2H]- 875.03363 303.2
[M]+ 854.05841 313.5
[M]- 854.05951 313.5
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.