CID 65626

45127-11-5

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

4969
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 162.2
[M+Na]+ 304.92526 165.8
[M+NH4]+ 299.96986 166.4
[M+K]+ 320.89920 158.2
[M-H]- 280.92876 157.4
[M+Na-2H]- 302.91071 158.8
[M]+ 281.93549 162.6
[M]- 281.93659 162.6
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