CID 76488

Fensulfothion sulfide

Structural Information

Molecular Formula

C₁₁H₁₇O₃PS₂

SMILES

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

InChI

InChI=1S/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3

InChIKey

NYAZLCBHRWRNRY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 4
Patents: 292.03568 Da
Monoisotopic Mass: 4.2
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]+	293.042956	159.8
[M+Na]+	315.024898	166.7
[M-H]-	291.028404	161.9
[M+NH4]+	310.069503	176.6
[M+K]+	330.998838	163.1
[M+H-H2O]+	275.032940	150.7
[M+HCOO]-	337.033881	177.9
[M+CH3COO]-	351.049531	199.4
[M+Na-2H]-	313.010346	158.7
[M]+	292.03513142	167.3
[M]-	292.03622858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe