CID 13710589

Ethylsulfenate

Structural Information

Molecular Formula

SMILES

CCSO

InChI

InChI=1S/C2H6OS/c1-2-4-3/h3H,2H2,1H3

InChIKey

HRKZEUPYFXLVQW-UHFFFAOYSA-N

Compound name

hydroxysulfanylethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 261
Patents: 78.01394 Da
Monoisotopic Mass: 0.3
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]+	79.021216	111.2
[M+Na]+	101.00316	121.9
[M+NH4]+	96.047763	120.6
[M+K]+	116.97710	114.7
[M-H]-	77.006664	111.3
[M+Na-2H]-	98.988606	115.3
[M]+	78.013391	113.1
[M]-	78.014489	113.1

Literature stripe

literature stripe

Patent stripe

patents stripe