CID 23046

Fenthion oxon

Structural Information

Molecular Formula

C₁₀H₁₅O₄PS

SMILES

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

InChI

InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3

InChIKey

ZNRZGJAHNMGWQN-UHFFFAOYSA-N

Compound name

dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 22
Patents: 262.04288 Da
Monoisotopic Mass: 2.4
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]+	263.05016	154.2
[M+Na]+	285.03210	162.6
[M-H]-	261.03560	157.4
[M+NH4]+	280.07670	172.5
[M+K]+	301.00604	161.4
[M+H-H2O]+	245.04014	145.8
[M+HCOO]-	307.04108	178.2
[M+CH3COO]-	321.05673	195.1
[M+Na-2H]-	283.01755	155.0
[M]+	262.04233	163.1
[M]-	262.04343	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe