CID 16683085

Tbtss

Structural Information

Molecular Formula
C31H58O6SSn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)O[Sn](CCCC)(CCCC)CCCC)O
InChI
InChI=1S/C7H6O6S.6C4H9.2Sn/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;6*1-3-4-2;;/h1-3,8H,(H,9,10)(H,11,12,13);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
KWFQHMKDEMNUQC-UHFFFAOYSA-L
Compound name
tributylstannyl 2-hydroxy-5-tributylstannyloxysulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

798.1998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.20708 247.4
[M+Na]+ 821.18902 251.2
[M+NH4]+ 816.23362 249.1
[M+K]+ 837.16296 245.8
[M-H]- 797.19252 234.9
[M+Na-2H]- 819.17447 248.0
[M]+ 798.19925 244.7
[M]- 798.20035 244.7
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