CID 19578

Fenthion sulfone

Structural Information

Molecular Formula

C₁₀H₁₅O₅PS₂

SMILES

CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C

InChI

InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3

InChIKey

ZDHYERRNXRANLI-UHFFFAOYSA-N

Compound name

dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 48
Patents: 310.00986 Da
Monoisotopic Mass: 2.8
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]+	311.01714	161.5
[M+Na]+	332.99908	169.6
[M-H]-	309.00258	164.1
[M+NH4]+	328.04368	177.4
[M+K]+	348.97302	166.6
[M+H-H2O]+	293.00712	152.9
[M+HCOO]-	355.00806	179.1
[M+CH3COO]-	369.02371	200.4
[M+Na-2H]-	330.98453	162.3
[M]+	310.00931	169.8
[M]-	310.01041	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe