CID 2735522

Bis(2-mercaptoethyl)sulfone

Structural Information

Molecular Formula

C₄H₁₀O₂S₃

SMILES

C(CS(=O)(=O)CCS)S

InChI

InChI=1S/C4H10O2S3/c5-9(6,3-1-7)4-2-8/h7-8H,1-4H2

InChIKey

YWXCBLUCVBSYNJ-UHFFFAOYSA-N

Compound name

2-(2-sulfanylethylsulfonyl)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 498
Patents: 185.9843 Da
Monoisotopic Mass: 0.2
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]+	186.991576	136.2
[M+Na]+	208.973518	144.1
[M-H]-	184.977024	135.8
[M+NH4]+	204.018123	155.8
[M+K]+	224.947458	139.2
[M+H-H2O]+	168.981560	131.0
[M+HCOO]-	230.982501	142.1
[M+CH3COO]-	244.998151	178.8
[M+Na-2H]-	206.958966	136.8
[M]+	185.98375142	139.1
[M]-	185.98484858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe