CID 16769

Dimethylvinphos

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃O₄P

SMILES

COP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

InChIKey

QSGNQELHULIMSJ-UHFFFAOYSA-N

Compound name

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 23466
Patents: 329.93823 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]+	330.945506	159.6
[M+Na]+	352.927448	169.9
[M-H]-	328.930954	161.7
[M+NH4]+	347.972053	176.2
[M+K]+	368.901388	165.1
[M+H-H2O]+	312.935490	154.6
[M+HCOO]-	374.936431	172.8
[M+CH3COO]-	388.952081	203.7
[M+Na-2H]-	350.912896	160.8
[M]+	329.93768142	168.5
[M]-	329.93877858	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe