CID 21043699

1-[(chlorosulfonyl)amino]ethan-1-one

Structural Information

Molecular Formula

C₂H₄ClNO₃S

SMILES

CC(=O)NS(=O)(=O)Cl

InChI

InChI=1S/C2H4ClNO3S/c1-2(5)4-8(3,6)7/h1H3,(H,4,5)

InChIKey

RHHZWMIOVCTMJB-UHFFFAOYSA-N

Compound name

N-acetylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 156.96004 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]+	157.96732	124.0
[M+Na]+	179.94926	133.4
[M-H]-	155.95276	125.4
[M+NH4]+	174.99386	145.9
[M+K]+	195.92320	131.2
[M+H-H2O]+	139.95730	121.0
[M+HCOO]-	201.95824	138.8
[M+CH3COO]-	215.97389	171.4
[M+Na-2H]-	177.93471	129.1
[M]+	156.95949	127.6
[M]-	156.96059	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe