CID 6108489

Bromfenvinphos

Structural Information

Molecular Formula

C₁₂H₁₄BrCl₂O₄P

SMILES

CCOP(=O)(OCC)O/C(=C/Br)/C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+

InChIKey

ORDKAVSHIKNMAN-XYOKQWHBSA-N

Compound name

[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 6831
Patents: 401.919 Da
Monoisotopic Mass: 3.2
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]+	402.92628	175.2
[M+Na]+	424.90822	178.1
[M+NH4]+	419.95282	178.0
[M+K]+	440.88216	177.8
[M-H]-	400.91172	173.4
[M+Na-2H]-	422.89367	176.2
[M]+	401.91845	174.3
[M]-	401.91955	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe