CID 215808

36357-81-0

Structural Information

Molecular Formula

C₁₁H₂₂Cl₃O₄P

SMILES

CC(C)OP(=O)(OCCCCC(Cl)(Cl)Cl)OC(C)C

InChI

InChI=1S/C11H22Cl3O4P/c1-9(2)17-19(15,18-10(3)4)16-8-6-5-7-11(12,13)14/h9-10H,5-8H2,1-4H3

InChIKey

MFWFRDQWTNEEPL-UHFFFAOYSA-N

Compound name

dipropan-2-yl 5,5,5-trichloropentyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.03214 Da
Monoisotopic Mass: 4.0
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]+	355.03942	173.1
[M+Na]+	377.02136	180.2
[M-H]-	353.02486	171.7
[M+NH4]+	372.06596	188.9
[M+K]+	392.99530	176.4
[M+H-H2O]+	337.02940	169.2
[M+HCOO]-	399.03034	182.3
[M+CH3COO]-	413.04599	210.7
[M+Na-2H]-	375.00681	173.0
[M]+	354.03159	183.5
[M]-	354.03269	183.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.