CID 23047

Fenthion oxon sulfoxide

Structural Information

Molecular Formula

C₁₀H₁₅O₅PS

SMILES

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

InChI

InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3

InChIKey

GTZCKTIZOGTWQO-UHFFFAOYSA-N

Compound name

dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3
Patents: 278.03778 Da
Monoisotopic Mass: 1.0
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]+	279.04506	155.7
[M+Na]+	301.02700	163.7
[M-H]-	277.03050	158.8
[M+NH4]+	296.07160	173.0
[M+K]+	317.00094	163.1
[M+H-H2O]+	261.03504	147.2
[M+HCOO]-	323.03598	179.0
[M+CH3COO]-	337.05163	197.1
[M+Na-2H]-	299.01245	155.8
[M]+	278.03723	164.6
[M]-	278.03833	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe