CID 112011

10140-93-9

Structural Information

Molecular Formula

C₈H₁₆ClO₃P

SMILES

CCCC1C(COP(=O)(O1)Cl)CC

InChI

InChI=1S/C8H16ClO3P/c1-3-5-8-7(4-2)6-11-13(9,10)12-8/h7-8H,3-6H2,1-2H3

InChIKey

UDNWWDKGKIGFKO-UHFFFAOYSA-N

Compound name

2-chloro-5-ethyl-4-propyl-1,3,2lambda5-dioxaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 226.05257 Da
Monoisotopic Mass: 2.5
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]+	227.05985	147.5
[M+Na]+	249.04179	155.6
[M-H]-	225.04529	151.2
[M+NH4]+	244.08639	166.9
[M+K]+	265.01573	155.5
[M+H-H2O]+	209.04983	141.6
[M+HCOO]-	271.05077	167.6
[M+CH3COO]-	285.06642	187.5
[M+Na-2H]-	247.02724	151.0
[M]+	226.05202	152.0
[M]-	226.05312	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe