CID 6336390

Bis(2-chloroethyl)phosphite

Structural Information

Molecular Formula

C₄H₈Cl₂O₃P

SMILES

C(CCl)O[P+](=O)OCCCl

InChI

InChI=1S/C4H8Cl2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q+1

InChIKey

BXLJSMDZUFAUKW-UHFFFAOYSA-N

Compound name

bis(2-chloroethoxy)-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 342
Patents: 204.95882 Da
Monoisotopic Mass: 1.2
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]+	205.96610	133.9
[M+Na]+	227.94804	142.8
[M-H]-	203.95154	133.2
[M+NH4]+	222.99264	154.7
[M+K]+	243.92198	135.1
[M+H-H2O]+	187.95608	132.4
[M+HCOO]-	249.95702	153.8
[M+CH3COO]-	263.97267	176.0
[M+Na-2H]-	225.93349	139.2
[M]+	204.95827	140.6
[M]-	204.95937	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe