CID 5563

Triclofos

Structural Information

Molecular Formula

C₂H₄Cl₃O₄P

SMILES

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

InChI

InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)

InChIKey

YYQRGCZGSFRBAM-UHFFFAOYSA-N

Compound name

2,2,2-trichloroethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 54
References: 11497
Patents: 227.89128 Da
Monoisotopic Mass: 0.3
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]+	228.898556	134.9
[M+Na]+	250.880498	144.8
[M-H]-	226.884004	131.7
[M+NH4]+	245.925103	153.9
[M+K]+	266.854438	140.6
[M+H-H2O]+	210.888540	132.8
[M+HCOO]-	272.889481	145.5
[M+CH3COO]-	286.905131	178.7
[M+Na-2H]-	248.865946	140.1
[M]+	227.89073142	139.0
[M]-	227.89182858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe