CID 68251

2,4-dinitrobenzenesulfenyl chloride

Structural Information

Molecular Formula

C₆H₃ClN₂O₄S

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl

InChI

InChI=1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

InChIKey

GPXDNWQSQHFKRB-UHFFFAOYSA-N

Compound name

(2,4-dinitrophenyl) thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 367
Patents: 233.95021 Da
Monoisotopic Mass: 2.4
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]+	234.95749	143.4
[M+Na]+	256.93943	157.4
[M+NH4]+	251.98403	151.8
[M+K]+	272.91337	154.5
[M-H]-	232.94293	147.7
[M+Na-2H]-	254.92488	149.1
[M]+	233.94966	147.1
[M]-	233.95076	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe