CID 2795990

68252-72-2

Structural Information

Molecular Formula

C₈H₉ClN₂O₃S

SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)Cl

InChI

InChI=1S/C8H9ClN2O3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14)

InChIKey

AQSIXLYSCABSLD-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-sulfamoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 248.00224 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]+	249.009516	148.8
[M+Na]+	270.991458	157.8
[M-H]-	246.994964	152.8
[M+NH4]+	266.036063	166.7
[M+K]+	286.965398	153.3
[M+H-H2O]+	230.999500	144.0
[M+HCOO]-	293.000441	163.6
[M+CH3COO]-	307.016091	191.7
[M+Na-2H]-	268.976906	151.9
[M]+	248.00169142	151.5
[M]-	248.00278858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe