CID 74390

Fenthion-ethyl

Structural Information

Molecular Formula

C₁₂H₁₉O₃PS₂

SMILES

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

InChI

InChI=1S/C12H19O3PS2/c1-5-13-16(17,14-6-2)15-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3

InChIKey

WGWJBWHBOKETRC-UHFFFAOYSA-N

Compound name

diethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4911
Patents: 306.05133 Da
Monoisotopic Mass: 5.0
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]+	307.05861	163.3
[M+Na]+	329.04055	170.5
[M-H]-	305.04405	165.5
[M+NH4]+	324.08515	179.8
[M+K]+	345.01449	166.6
[M+H-H2O]+	289.04859	154.2
[M+HCOO]-	351.04953	181.0
[M+CH3COO]-	365.06518	203.4
[M+Na-2H]-	327.02600	161.2
[M]+	306.05078	171.6
[M]-	306.05188	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe