CID 14034

1067-98-7

Structural Information

Molecular Formula

C₉H₁₈Cl₃O₄P

SMILES

C(COP(=O)(OCCCCl)OCCCCl)CCl

InChI

InChI=1S/C9H18Cl3O4P/c10-4-1-7-14-17(13,15-8-2-5-11)16-9-3-6-12/h1-9H2

InChIKey

WOURXYYHORRGQO-UHFFFAOYSA-N

Compound name

tris(3-chloropropyl) phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 22
References: 4541
Patents: 326.00082 Da
Monoisotopic Mass: 2.0
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]+	327.008096	165.4
[M+Na]+	348.990038	173.1
[M-H]-	324.993544	163.3
[M+NH4]+	344.034643	181.9
[M+K]+	364.963978	168.5
[M+H-H2O]+	308.998080	160.8
[M+HCOO]-	370.999021	178.2
[M+CH3COO]-	385.014671	203.9
[M+Na-2H]-	346.975486	167.0
[M]+	326.00027142	176.5
[M]-	326.00136858	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe