CID 5018110

Bis(2-chloroethyl) methylphosphonate

Structural Information

Molecular Formula

C₅H₁₁Cl₂O₃P

SMILES

CP(=O)(OCCCl)OCCCl

InChI

InChI=1S/C5H11Cl2O3P/c1-11(8,9-4-2-6)10-5-3-7/h2-5H2,1H3

InChIKey

IPTIBLAAEZFRHZ-UHFFFAOYSA-N

Compound name

1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 219.98228 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]+	220.98956	141.0
[M+Na]+	242.97150	150.3
[M-H]-	218.97500	140.2
[M+NH4]+	238.01610	161.7
[M+K]+	258.94544	147.3
[M+H-H2O]+	202.97954	136.5
[M+HCOO]-	264.98048	160.2
[M+CH3COO]-	278.99613	185.2
[M+Na-2H]-	240.95695	145.1
[M]+	219.98173	149.4
[M]-	219.98283	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe