CID 120325

682-42-8

Structural Information

Molecular Formula

C₁₀H₂₀Cl₃O₄P

SMILES

CCCCOP(=O)(OCCCC)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C10H20Cl3O4P/c1-3-5-7-15-18(14,16-8-6-4-2)17-9-10(11,12)13/h3-9H2,1-2H3

InChIKey

NWKDLFNTFHPZNO-UHFFFAOYSA-N

Compound name

dibutyl 2,2,2-trichloroethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.01648 Da
Monoisotopic Mass: 3.9
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]+	341.02376	171.5
[M+Na]+	363.00570	179.3
[M-H]-	339.00920	169.8
[M+NH4]+	358.05030	187.7
[M+K]+	378.97964	174.8
[M+H-H2O]+	323.01374	167.1
[M+HCOO]-	385.01468	182.5
[M+CH3COO]-	399.03033	206.5
[M+Na-2H]-	360.99115	173.7
[M]+	340.01593	182.4
[M]-	340.01703	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe