CID 116971

70969-69-6

Structural Information

Molecular Formula

C₆H₁₅O₃S₃Sb

SMILES

C(CS[Sb](SCCO)SCCO)O

InChI

InChI=1S/3C2H6OS.Sb/c3*3-1-2-4;/h3*3-4H,1-2H2;/q;;;+3/p-3

InChIKey

SDAPCJALHMXUGR-UHFFFAOYSA-K

Compound name

2-[bis(2-hydroxyethylsulfanyl)stibanylsulfanyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 351.92215 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.92943	166.9
[M+Na]+	374.91137	169.7
[M-H]-	350.91487	160.2
[M+NH4]+	369.95597	180.7
[M+K]+	390.88531	162.4
[M+H-H2O]+	334.91941	160.1
[M+HCOO]-	396.92035	166.7
[M+CH3COO]-	410.93600	187.7
[M+Na-2H]-	372.89682	162.7
[M]+	351.92160	168.0
[M]-	351.92270	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe