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

4
Annotation Hits: 0
References: 25
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]+	263.050156	154.2
[M+Na]+	285.032098	162.6
[M-H]-	261.035604	157.4
[M+NH4]+	280.076703	172.5
[M+K]+	301.006038	161.4
[M+H-H2O]+	245.040140	145.8
[M+HCOO]-	307.041081	178.2
[M+CH3COO]-	321.056731	195.1
[M+Na-2H]-	283.017546	155.0
[M]+	262.04233142	163.1
[M]-	262.04342858	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe