CID 14595653

63440-92-6

Structural Information

Molecular Formula

C₄H₁₀O₇S₂

SMILES

C(CS(=O)(=O)O)OCCS(=O)(=O)O

InChI

InChI=1S/C4H10O7S2/c5-12(6,7)3-1-11-2-4-13(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

InChIKey

YXFNFSBQEDFMHR-UHFFFAOYSA-N

Compound name

2-(2-sulfoethoxy)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 837
Patents: 233.9868 Da
Monoisotopic Mass: -2.2
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]+	234.99408	145.5
[M+Na]+	256.97602	152.3
[M-H]-	232.97952	142.5
[M+NH4]+	252.02062	161.6
[M+K]+	272.94996	149.2
[M+H-H2O]+	216.98406	140.7
[M+HCOO]-	278.98500	154.8
[M+CH3COO]-	293.00065	176.7
[M+Na-2H]-	254.96147	149.4
[M]+	233.98625	150.7
[M]-	233.98735	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe