CID 3016299

41762-76-9

Structural Information

Molecular Formula

C₅H₇ClN₂O₄S

SMILES

CS(=O)(=O)N1CCN(C1=O)C(=O)Cl

InChI

InChI=1S/C5H7ClN2O4S/c1-13(11,12)8-3-2-7(4(6)9)5(8)10/h2-3H2,1H3

InChIKey

ZWTPALHHEULAPI-UHFFFAOYSA-N

Compound name

3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 225.9815 Da
Monoisotopic Mass: -0.1
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]+	226.98878	142.7
[M+Na]+	248.97072	153.0
[M-H]-	224.97422	144.6
[M+NH4]+	244.01532	161.5
[M+K]+	264.94466	150.6
[M+H-H2O]+	208.97876	138.2
[M+HCOO]-	270.97970	153.0
[M+CH3COO]-	284.99535	180.8
[M+Na-2H]-	246.95617	143.4
[M]+	225.98095	146.3
[M]-	225.98205	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe