CID 11746075

3z8t5uh9tl

Structural Information

Molecular Formula

C₅H₁₀Cl₂NO₂P

SMILES

C1CN(P(=O)(OC1)Cl)CCCl

InChI

InChI=1S/C5H10Cl2NO2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2

InChIKey

SBMJSKYKTAAHAB-UHFFFAOYSA-N

Compound name

2-chloro-3-(2-chloroethyl)-1,3,2lambda5-oxazaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 216.98262 Da
Monoisotopic Mass: 1.3
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]+	217.98990	137.3
[M+Na]+	239.97184	146.0
[M-H]-	215.97534	138.3
[M+NH4]+	235.01644	157.0
[M+K]+	255.94578	143.7
[M+H-H2O]+	199.97988	131.3
[M+HCOO]-	261.98082	152.7
[M+CH3COO]-	275.99647	182.4
[M+Na-2H]-	237.95729	141.3
[M]+	216.98207	139.5
[M]-	216.98317	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe