CID 80784

6378-11-6

Structural Information

Molecular Formula

C₂H₅ClO₂S

SMILES

CCOS(=O)Cl

InChI

InChI=1S/C2H5ClO2S/c1-2-5-6(3)4/h2H2,1H3

InChIKey

DNTYXOAEBUZAJC-UHFFFAOYSA-N

Compound name

chlorosulfinyloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 127.96988 Da
Monoisotopic Mass: 1.2
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]+	128.97716	117.0
[M+Na]+	150.95910	126.5
[M-H]-	126.96260	118.3
[M+NH4]+	146.00370	140.6
[M+K]+	166.93304	125.0
[M+H-H2O]+	110.96714	114.1
[M+HCOO]-	172.96808	131.8
[M+CH3COO]-	186.98373	166.9
[M+Na-2H]-	148.94455	121.1
[M]+	127.96933	122.1
[M]-	127.97043	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe