CID 24649

Pyrosulfuryl chloride

Structural Information

Molecular Formula

SMILES

O=S(=O)(OS(=O)(=O)Cl)Cl

InChI

InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6

InChIKey

NNTJKSMVNWGFTB-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 215
Patents: 213.85641 Da
Monoisotopic Mass: 0.8
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]+	214.86369	131.0
[M+Na]+	236.84563	141.5
[M-H]-	212.84913	132.5
[M+NH4]+	231.89023	151.0
[M+K]+	252.81957	137.6
[M+H-H2O]+	196.85367	129.5
[M+HCOO]-	258.85461	135.0
[M+CH3COO]-	272.87026	174.3
[M+Na-2H]-	234.83108	136.0
[M]+	213.85586	137.8
[M]-	213.85696	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe