CID 13444370

32157-30-5

Structural Information

Molecular Formula

SMILES

CC=S=O

InChI

InChI=1S/C2H4OS/c1-2-4-3/h2H,1H3

InChIKey

KUGFGBASDDWLNF-UHFFFAOYSA-N

Compound name

1-sulfinylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 75.99828 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]+	77.005556	107.6
[M+Na]+	98.987498	117.2
[M-H]-	74.991004	109.0
[M+NH4]+	94.032103	132.6
[M+K]+	114.96144	116.4
[M+H-H2O]+	58.995540	103.9
[M+HCOO]-	120.99648	127.8
[M+CH3COO]-	135.01213	158.6
[M+Na-2H]-	96.972946	113.1
[M]+	75.997731	109.4
[M]-	75.998829	109.4

Literature stripe

literature stripe

Patent stripe

patents stripe