CID 65626

2,2'-dithiodiethanesulfonic acid

Structural Information

Molecular Formula
C4H10O6S4
SMILES
C(CS(=O)(=O)O)SSCCS(=O)(=O)O
InChI
InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
InChIKey
BYUKOOOZTSTOOH-UHFFFAOYSA-N
Compound name
2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

59
References

6782
Patents

281.93604 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94332 163.5
[M+Na]+ 304.92526 168.2
[M-H]- 280.92876 157.7
[M+NH4]+ 299.96986 175.7
[M+K]+ 320.89920 159.2
[M+H-H2O]+ 264.93330 157.2
[M+HCOO]- 326.93424 160.1
[M+CH3COO]- 340.94989 187.3
[M+Na-2H]- 302.91071 165.3
[M]+ 281.93549 163.1
[M]- 281.93659 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe