CID 8292

Fensulfothion

Structural Information

Molecular Formula

C₁₁H₁₇O₄PS₂

SMILES

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

InChI

InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

InChIKey

XDNBJTQLKCIJBV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 16
References: 14088
Patents: 308.03058 Da
Monoisotopic Mass: 2.2
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]+	309.037856	162.4
[M+Na]+	331.019798	168.9
[M-H]-	307.023304	164.5
[M+NH4]+	326.064403	178.3
[M+K]+	346.993738	165.7
[M+H-H2O]+	291.027840	153.3
[M+HCOO]-	353.028781	179.8
[M+CH3COO]-	367.044431	201.3
[M+Na-2H]-	329.005246	160.7
[M]+	308.03003142	170.0
[M]-	308.03112858	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe