CID 3034447

2,2,2-tribromoethyl morpholinochlorophosphonate

Structural Information

Molecular Formula

C₆H₁₀Br₃ClNO₃P

SMILES

C1COCCN1P(=O)(OCC(Br)(Br)Br)Cl

InChI

InChI=1S/C6H10Br3ClNO3P/c7-6(8,9)5-14-15(10,12)11-1-3-13-4-2-11/h1-5H2

InChIKey

LROSUTJPBMEPEY-UHFFFAOYSA-N

Compound name

4-[chloro(2,2,2-tribromoethoxy)phosphoryl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 446.7637 Da
Monoisotopic Mass: 2.4
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]+	447.77098	176.5
[M+Na]+	469.75292	183.9
[M-H]-	445.75642	180.6
[M+NH4]+	464.79752	188.6
[M+K]+	485.72686	168.2
[M+H-H2O]+	429.76096	190.1
[M+HCOO]-	491.76190	182.1
[M+CH3COO]-	505.77755	224.8
[M+Na-2H]-	467.73837	179.1
[M]+	446.76315	217.3
[M]-	446.76425	217.3

Literature stripe

literature stripe

Patent stripe

patents stripe