CID 116862

Monobutyltin tris(2-hydroxyethylmercaptide)

Structural Information

Molecular Formula
C10H24O3S3Sn
SMILES
CCCC[Sn](SCCO)(SCCO)SCCO
InChI
InChI=1S/C4H9.3C2H6OS.Sn/c1-3-4-2;3*3-1-2-4;/h1,3-4H2,2H3;3*3-4H,1-2H2;/q;;;;+3/p-3
InChIKey
UZMMIZJMWXQBIK-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-hydroxyethylsulfanyl)stannyl]sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

407.99097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.99825 184.6
[M+Na]+ 430.98019 186.3
[M-H]- 406.98369 177.3
[M+NH4]+ 426.02479 196.4
[M+K]+ 446.95413 178.1
[M+H-H2O]+ 390.98823 177.4
[M+HCOO]- 452.98917 183.1
[M+CH3COO]- 467.00482 198.5
[M+Na-2H]- 428.96564 180.6
[M]+ 407.99042 187.1
[M]- 407.99152 187.1
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