CID 6912305

Phosphonic acid, 2,2,2-trichloroethyl ester, sodium salt

Structural Information

Molecular Formula

C₂H₂Cl₃O₃P

SMILES

C(C(Cl)(Cl)Cl)OP(=O)=O

InChI

InChI=1S/C2H2Cl3O3P/c3-2(4,5)1-8-9(6)7/h1H2

InChIKey

ATFXCZWOYKAJCW-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.8807 Da
Monoisotopic Mass: 0.9
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]+	210.88798	129.2
[M+Na]+	232.86992	139.9
[M-H]-	208.87342	128.4
[M+NH4]+	227.91452	150.1
[M+K]+	248.84386	136.3
[M+H-H2O]+	192.87796	126.5
[M+HCOO]-	254.87890	143.3
[M+CH3COO]-	268.89455	181.1
[M+Na-2H]-	230.85537	133.1
[M]+	209.88015	135.0
[M]-	209.88125	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe