CID 235027

S-(2-hydroxyethyl) benzenesulfonothioate

Structural Information

Molecular Formula
C8H10O3S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)SCCO
InChI
InChI=1S/C8H10O3S2/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
DKALMSPTEVVHDF-UHFFFAOYSA-N
Compound name
2-(benzenesulfonylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.00714 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01442 143.7
[M+Na]+ 240.99636 151.7
[M-H]- 216.99986 145.8
[M+NH4]+ 236.04096 161.9
[M+K]+ 256.97030 147.0
[M+H-H2O]+ 201.00440 138.2
[M+HCOO]- 263.00534 155.6
[M+CH3COO]- 277.02099 179.2
[M+Na-2H]- 238.98181 147.0
[M]+ 218.00659 146.5
[M]- 218.00769 146.5
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.