CID 8293

Cythioate

Structural Information

Molecular Formula

C₈H₁₂NO₅PS₂

SMILES

COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)

InChIKey

BSBSDQUZDZXGFN-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphinothioyloxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 19
References: 7093
Patents: 296.98944 Da
Monoisotopic Mass: 1.6
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]+	297.996716	157.8
[M+Na]+	319.978658	164.9
[M-H]-	295.982164	159.4
[M+NH4]+	315.023263	173.1
[M+K]+	335.952598	161.6
[M+H-H2O]+	279.986700	148.7
[M+HCOO]-	341.987641	176.2
[M+CH3COO]-	356.003291	197.6
[M+Na-2H]-	317.964106	159.6
[M]+	296.98889142	162.9
[M]-	296.98998858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe