CID 4118228

N,n-diethylthiophosphoramidic dichloride

Structural Information

Molecular Formula

C₄H₁₀Cl₂NPS

SMILES

CCN(CC)P(=S)(Cl)Cl

InChI

InChI=1S/C4H10Cl2NPS/c1-3-7(4-2)8(5,6)9/h3-4H2,1-2H3

InChIKey

GUIDDMDCKCUKEZ-UHFFFAOYSA-N

Compound name

N-dichlorophosphinothioyl-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 204.96486 Da
Monoisotopic Mass: 3.6
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]+	205.97214	136.2
[M+Na]+	227.95408	144.8
[M-H]-	203.95758	137.3
[M+NH4]+	222.99868	158.2
[M+K]+	243.92802	141.2
[M+H-H2O]+	187.96212	131.3
[M+HCOO]-	249.96306	151.2
[M+CH3COO]-	263.97871	188.2
[M+Na-2H]-	225.93953	136.6
[M]+	204.96431	141.9
[M]-	204.96541	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe