CID 107199

Diethyl 1,2,2,2-tetrachloroethyl phosphate

Structural Information

Molecular Formula

C₆H₁₁Cl₄O₄P

SMILES

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

InChI

InChI=1S/C6H11Cl4O4P/c1-3-12-15(11,13-4-2)14-5(7)6(8,9)10/h5H,3-4H2,1-2H3

InChIKey

NILOGSUCKNGCDM-UHFFFAOYSA-N

Compound name

diethyl 1,2,2,2-tetrachloroethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 317.91492 Da
Monoisotopic Mass: 2.9
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]+	318.92220	156.5
[M+Na]+	340.90414	165.2
[M-H]-	316.90764	154.5
[M+NH4]+	335.94874	173.1
[M+K]+	356.87808	161.6
[M+H-H2O]+	300.91218	153.8
[M+HCOO]-	362.91312	162.4
[M+CH3COO]-	376.92877	201.5
[M+Na-2H]-	338.88959	158.6
[M]+	317.91437	164.1
[M]-	317.91547	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe