CID 73906

Diethylphosphoramidic dichloride

Structural Information

Molecular Formula

C₄H₁₀Cl₂NOP

SMILES

CCN(CC)P(=O)(Cl)Cl

InChI

InChI=1S/C4H10Cl2NOP/c1-3-7(4-2)9(5,6)8/h3-4H2,1-2H3

InChIKey

FXKRFCBTXGJQPY-UHFFFAOYSA-N

Compound name

N-dichlorophosphoryl-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 188.9877 Da
Monoisotopic Mass: 1.9
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]+	189.994976	135.8
[M+Na]+	211.976918	144.9
[M-H]-	187.980424	136.5
[M+NH4]+	207.021523	158.1
[M+K]+	227.950858	142.4
[M+H-H2O]+	171.984960	131.3
[M+HCOO]-	233.985901	156.3
[M+CH3COO]-	248.001551	186.4
[M+Na-2H]-	209.962366	139.5
[M]+	188.98715142	141.5
[M]-	188.98824858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe