CID 116198

Sulfonium, (thiodiethylene)bis(bis(2-hydroxyethyl)-, dichloride

Structural Information

Molecular Formula
C12H28O4S3
SMILES
C(CSCCSCCS(CCO)(CCO)CCO)O
InChI
InChI=1S/C12H28O4S3/c13-1-5-17-6-7-18-8-12-19(9-2-14,10-3-15)11-4-16/h13-16H,1-12H2
InChIKey
RARUDMIPHGNDDE-UHFFFAOYSA-N
Compound name
2-[2-[2-[tris(2-hydroxyethyl)-lambda4-sulfanyl]ethylsulfanyl]ethylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.11496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12224 172.1
[M+Na]+ 355.10418 173.3
[M-H]- 331.10768 163.7
[M+NH4]+ 350.14878 182.9
[M+K]+ 371.07812 164.9
[M+H-H2O]+ 315.11222 165.7
[M+HCOO]- 377.11316 170.2
[M+CH3COO]- 391.12881 197.2
[M+Na-2H]- 353.08963 169.7
[M]+ 332.11441 174.4
[M]- 332.11551 174.4
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

No patent data available for this compound.