CID 23270737

697-43-8

Structural Information

Molecular Formula

C₆H₁₀ClO₂P

SMILES

C1C=CCP1(=O)OCCCl

InChI

InChI=1S/C6H10ClO2P/c7-3-4-9-10(8)5-1-2-6-10/h1-2H,3-6H2

InChIKey

ACRYLIHGFUNZIE-UHFFFAOYSA-N

Compound name

1-(2-chloroethoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.0107 Da
Monoisotopic Mass: 0.2
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]+	181.01798	133.6
[M+Na]+	202.99992	142.6
[M-H]-	179.00342	136.1
[M+NH4]+	198.04452	158.6
[M+K]+	218.97386	140.0
[M+H-H2O]+	163.00796	127.8
[M+HCOO]-	225.00890	159.6
[M+CH3COO]-	239.02455	176.4
[M+Na-2H]-	200.98537	137.2
[M]+	180.01015	137.4
[M]-	180.01125	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe