CID 9573853

Nsc363067

Structural Information

Molecular Formula
C8H20O6S4Sn
SMILES
CC[Sn](CC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O
InChI
InChI=1S/2C2H6O3S2.2C2H5.Sn/c2*3-7(4,5)2-1-6;2*1-2;/h2*6H,1-2H2,(H,3,4,5);2*1H2,2H3;/q;;;;+2/p-2
InChIKey
BBZMTGDMQUXVFH-UHFFFAOYSA-L
Compound name
2-[diethyl(2-sulfoethylsulfanyl)stannyl]sulfanylethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.91647 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.92375 201.4
[M+Na]+ 482.90569 203.2
[M-H]- 458.90919 193.9
[M+NH4]+ 477.95029 209.9
[M+K]+ 498.87963 193.3
[M+H-H2O]+ 442.91373 193.5
[M+HCOO]- 504.91467 194.6
[M+CH3COO]- 518.93032 204.7
[M+Na-2H]- 480.89114 201.5
[M]+ 459.91592 202.0
[M]- 459.91702 202.0
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.