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: 369
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	144.9
[M+Na]+	256.93943	151.7
[M-H]-	232.94293	148.6
[M+NH4]+	251.98403	161.4
[M+K]+	272.91337	140.4
[M+H-H2O]+	216.94747	148.9
[M+HCOO]-	278.94841	161.7
[M+CH3COO]-	292.96406	176.4
[M+Na-2H]-	254.92488	151.1
[M]+	233.94966	144.6
[M]-	233.95076	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe