CID 137698757

2137896-67-2

Structural Information

Molecular Formula

C₃H₇NO₃S₂

SMILES

C1C(CS1(=O)=O)S(=O)N

InChI

InChI=1S/C3H7NO3S2/c4-8(5)3-1-9(6,7)2-3/h3H,1-2,4H2

InChIKey

ZSVROFPXJOTFRT-UHFFFAOYSA-N

Compound name

1,1-dioxothietane-3-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.98674 Da
Monoisotopic Mass: -1.7
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]+	169.994016	124.7
[M+Na]+	191.975958	129.7
[M-H]-	167.979464	126.9
[M+NH4]+	187.020563	139.3
[M+K]+	207.949898	130.4
[M+H-H2O]+	151.984000	113.8
[M+HCOO]-	213.984941	135.8
[M+CH3COO]-	228.000591	177.8
[M+Na-2H]-	189.961406	126.0
[M]+	168.98619142	133.0
[M]-	168.98728858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.