CID 58597643

100481-28-5

Structural Information

Molecular Formula

C₄H₈ClNO₃S

SMILES

CN(C)C(=O)CS(=O)(=O)Cl

InChI

InChI=1S/C4H8ClNO3S/c1-6(2)4(7)3-10(5,8)9/h3H2,1-2H3

InChIKey

QCOLUTLBSUAPTR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-oxoethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 184.99135 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]+	185.99863	132.1
[M+Na]+	207.98057	140.8
[M-H]-	183.98407	134.7
[M+NH4]+	203.02517	153.6
[M+K]+	223.95451	139.5
[M+H-H2O]+	167.98861	128.5
[M+HCOO]-	229.98955	146.7
[M+CH3COO]-	244.00520	180.9
[M+Na-2H]-	205.96602	135.6
[M]+	184.99080	137.8
[M]-	184.99190	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe