CID 215795

Diethyl trichloroheptyl phosphate

Structural Information

Molecular Formula

C₁₁H₂₂Cl₃O₄P

SMILES

CCOP(=O)(OCC)OCCCCCCC(Cl)(Cl)Cl

InChI

InChI=1S/C11H22Cl3O4P/c1-3-16-19(15,17-4-2)18-10-8-6-5-7-9-11(12,13)14/h3-10H2,1-2H3

InChIKey

YAXRKEFYFAQMSM-UHFFFAOYSA-N

Compound name

diethyl 7,7,7-trichloroheptyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.03214 Da
Monoisotopic Mass: 4.1
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]+	355.03942	176.1
[M+Na]+	377.02136	183.5
[M-H]-	353.02486	174.2
[M+NH4]+	372.06596	191.8
[M+K]+	392.99530	178.8
[M+H-H2O]+	337.02940	171.6
[M+HCOO]-	399.03034	186.8
[M+CH3COO]-	413.04599	209.3
[M+Na-2H]-	375.00681	177.8
[M]+	354.03159	187.4
[M]-	354.03269	187.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.