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
3
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 272.2
[M+Na]+ 821.18902 276.6
[M-H]- 797.19252 263.9
[M+NH4]+ 816.23362 277.5
[M+K]+ 837.16296 278.1
[M+H-H2O]+ 781.19706 266.9
[M+HCOO]- 843.19800 287.3
[M+CH3COO]- 857.21365 263.9
[M+Na-2H]- 819.17447 254.0
[M]+ 798.19925 272.4
[M]- 798.20035 272.4
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