CID 80518

6294-34-4

Structural Information

Molecular Formula

C₆H₁₂Cl₃O₃P

SMILES

C(CCl)OP(=O)(CCCl)OCCCl

InChI

InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2

InChIKey

XXIDKSWYSYEFAG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 526
Patents: 267.95895 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]+	268.966226	150.1
[M+Na]+	290.948168	159.1
[M-H]-	266.951674	148.4
[M+NH4]+	285.992773	168.9
[M+K]+	306.922108	154.6
[M+H-H2O]+	250.956210	146.2
[M+HCOO]-	312.957151	163.5
[M+CH3COO]-	326.972801	193.5
[M+Na-2H]-	288.933616	153.0
[M]+	267.95840142	158.7
[M]-	267.95949858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe