CID 66145

2,2-dichlorovinyl diethyl phosphate

Structural Information

Molecular Formula

C₆H₁₁Cl₂O₄P

SMILES

CCOP(=O)(OCC)OC=C(Cl)Cl

InChI

InChI=1S/C6H11Cl2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3

InChIKey

BVZSTBILYMMKCG-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 247.9772 Da
Monoisotopic Mass: 2.1
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]+	248.98448	145.6
[M+Na]+	270.96642	154.7
[M-H]-	246.96992	145.0
[M+NH4]+	266.01102	165.2
[M+K]+	286.94036	151.8
[M+H-H2O]+	230.97446	141.2
[M+HCOO]-	292.97540	164.2
[M+CH3COO]-	306.99105	189.2
[M+Na-2H]-	268.95187	148.5
[M]+	247.97665	154.6
[M]-	247.97775	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe