CID 3484268

1666-45-1

Structural Information

Molecular Formula

C₄H₇Cl₃NO₄P

SMILES

COP(=O)(NC(=O)C(Cl)(Cl)Cl)OC

InChI

InChI=1S/C4H7Cl3NO4P/c1-11-13(10,12-2)8-3(9)4(5,6)7/h1-2H3,(H,8,9,10)

InChIKey

FGXOGRSGUNCHQL-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-dimethoxyphosphorylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 20
Patents: 268.91782 Da
Monoisotopic Mass: 0.8
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]+	269.92510	146.0
[M+Na]+	291.90704	155.2
[M-H]-	267.91054	145.3
[M+NH4]+	286.95164	164.4
[M+K]+	307.88098	152.1
[M+H-H2O]+	251.91508	142.9
[M+HCOO]-	313.91602	159.2
[M+CH3COO]-	327.93167	193.2
[M+Na-2H]-	289.89249	150.3
[M]+	268.91727	152.6
[M]-	268.91837	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe