CID 14363949

Ethyl 2-((chlorosulfonyl)amino)acetate

Structural Information

Molecular Formula

C₃H₆ClNO₄S

SMILES

COC(=O)CNS(=O)(=O)Cl

InChI

InChI=1S/C3H6ClNO4S/c1-9-3(6)2-5-10(4,7)8/h5H,2H2,1H3

InChIKey

HZOHYQWTPXAJNJ-UHFFFAOYSA-N

Compound name

methyl 2-(chlorosulfonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 186.97061 Da
Monoisotopic Mass: 0.0
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]+	187.97789	131.1
[M+Na]+	209.95983	139.9
[M-H]-	185.96333	132.3
[M+NH4]+	205.00443	151.7
[M+K]+	225.93377	137.9
[M+H-H2O]+	169.96787	127.6
[M+HCOO]-	231.96881	145.8
[M+CH3COO]-	245.98446	176.5
[M+Na-2H]-	207.94528	135.9
[M]+	186.97006	136.6
[M]-	186.97116	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe