CID 13468997

37595-87-2

Structural Information

Molecular Formula

C₃H₄Cl₂NO₂P

SMILES

C(COP(=O)(Cl)Cl)C#N

InChI

InChI=1S/C3H4Cl2NO2P/c4-9(5,7)8-3-1-2-6/h1,3H2

InChIKey

AZOOILVRWKPUQN-UHFFFAOYSA-N

Compound name

3-dichlorophosphoryloxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 186.93567 Da
Monoisotopic Mass: 0.7
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]+	187.94295	125.7
[M+Na]+	209.92489	137.7
[M-H]-	185.92839	126.1
[M+NH4]+	204.96949	145.7
[M+K]+	225.89883	134.6
[M+H-H2O]+	169.93293	115.7
[M+HCOO]-	231.93387	142.6
[M+CH3COO]-	245.94952	190.9
[M+Na-2H]-	207.91034	131.3
[M]+	186.93512	126.7
[M]-	186.93622	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe