CID 129283

3-nitro-2-pyridinesulfenyl chloride

Structural Information

Molecular Formula

C₅H₃ClN₂O₂S

SMILES

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

InChI

InChI=1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H

InChIKey

WTKQMHWYSBWUBE-UHFFFAOYSA-N

Compound name

(3-nitropyridin-2-yl) thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 7356
Patents: 189.96037 Da
Monoisotopic Mass: 1.9
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]+	190.96765	130.7
[M+Na]+	212.94959	139.7
[M-H]-	188.95309	133.6
[M+NH4]+	207.99419	149.5
[M+K]+	228.92353	132.3
[M+H-H2O]+	172.95763	130.2
[M+HCOO]-	234.95857	146.5
[M+CH3COO]-	248.97422	172.2
[M+Na-2H]-	210.93504	137.5
[M]+	189.95982	132.2
[M]-	189.96092	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe