CID 8783

Tris(2-chloroethyl) phosphite

Structural Information

Molecular Formula

C₆H₁₂Cl₃O₃P

SMILES

C(CCl)OP(OCCCl)OCCCl

InChI

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

InChIKey

LUVCTYHBTXSAMX-UHFFFAOYSA-N

Compound name

tris(2-chloroethyl) phosphite

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1579
Patents: 267.95895 Da
Monoisotopic Mass: 1.8
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	148.7
[M+Na]+	290.948168	156.8
[M-H]-	266.951674	146.7
[M+NH4]+	285.992773	167.4
[M+K]+	306.922108	153.0
[M+H-H2O]+	250.956210	144.6
[M+HCOO]-	312.957151	162.6
[M+CH3COO]-	326.972801	194.8
[M+Na-2H]-	288.933616	149.7
[M]+	267.95840142	157.9
[M]-	267.95949858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe