CID 9583104

70661-64-2

Structural Information

Molecular Formula

C₈H₉ClN₂O₃S

SMILES

C1=CC(=CC=C1S(=O)(=O)C/C(=N/O)/N)Cl

InChI

InChI=1S/C8H9ClN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)

InChIKey

RJWJKIYKFMICDI-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfonyl-N'-hydroxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.00224 Da
Monoisotopic Mass: 1.0
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]+	249.009516	148.9
[M+Na]+	270.991458	157.2
[M-H]-	246.994964	152.6
[M+NH4]+	266.036063	166.6
[M+K]+	286.965398	152.6
[M+H-H2O]+	230.999500	143.9
[M+HCOO]-	293.000441	163.9
[M+CH3COO]-	307.016091	190.5
[M+Na-2H]-	268.976906	152.8
[M]+	248.00169142	151.3
[M]-	248.00278858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe