CID 26595

Fensulfothion sulfone

Structural Information

Molecular Formula

C₁₁H₁₇O₅PS₂

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3

InChIKey

VTFZEBCYVXMEBB-UHFFFAOYSA-N

Compound name

diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 324.0255 Da
Monoisotopic Mass: 2.6
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]+	325.03278	168.9
[M+Na]+	347.01472	177.4
[M+NH4]+	342.05932	174.5
[M+K]+	362.98866	170.3
[M-H]-	323.01822	167.5
[M+Na-2H]-	345.00017	171.6
[M]+	324.02495	170.5
[M]-	324.02605	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe