CID 13982209

Ethanesulfonic anhydride

Structural Information

Molecular Formula

C₄H₁₀O₅S₂

SMILES

CCS(=O)(=O)OS(=O)(=O)CC

InChI

InChI=1S/C4H10O5S2/c1-3-10(5,6)9-11(7,8)4-2/h3-4H2,1-2H3

InChIKey

CCJXQRNXZKSOGJ-UHFFFAOYSA-N

Compound name

ethylsulfonyl ethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 201.99696 Da
Monoisotopic Mass: 0.0
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]+	203.00424	139.1
[M+Na]+	224.98618	147.6
[M-H]-	200.98968	139.5
[M+NH4]+	220.03078	158.3
[M+K]+	240.96012	145.4
[M+H-H2O]+	184.99422	134.4
[M+HCOO]-	246.99516	150.9
[M+CH3COO]-	261.01081	177.3
[M+Na-2H]-	222.97163	143.0
[M]+	201.99641	145.3
[M]-	201.99751	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe