CID 137617

Ethenesulfenic acid

Structural Information

Molecular Formula

SMILES

C=CSO

InChI

InChI=1S/C2H4OS/c1-2-4-3/h2-3H,1H2

InChIKey

SLAWTOLLPNIOGD-UHFFFAOYSA-N

Compound name

hydroxysulfanylethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 75.99828 Da
Monoisotopic Mass: 0.5
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	109.1
[M+Na]+	98.987498	117.9
[M-H]-	74.991004	108.9
[M+NH4]+	94.032103	133.2
[M+K]+	114.96144	116.6
[M+H-H2O]+	58.995540	105.5
[M+HCOO]-	120.99648	127.6
[M+CH3COO]-	135.01213	157.4
[M+Na-2H]-	96.972946	114.1
[M]+	75.997731	109.8
[M]-	75.998829	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe