CID 8295

Tris(2-chloroethyl) phosphate

Structural Information

Molecular Formula

C₆H₁₂Cl₃O₄P

SMILES

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

InChI

InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2

InChIKey

HQUQLFOMPYWACS-UHFFFAOYSA-N

Compound name

tris(2-chloroethyl) phosphate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 204
References: 20041
Patents: 283.9539 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]+	284.96118	151.5
[M+Na]+	306.94312	160.3
[M-H]-	282.94662	149.8
[M+NH4]+	301.98772	169.6
[M+K]+	322.91706	156.4
[M+H-H2O]+	266.95116	147.5
[M+HCOO]-	328.95210	165.2
[M+CH3COO]-	342.96775	195.4
[M+Na-2H]-	304.92857	154.6
[M]+	283.95335	161.4
[M]-	283.95445	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe