CID 9396

311-47-7

Structural Information

Molecular Formula

C₆H₁₂ClO₄P

SMILES

CCOP(=O)(OCC)OC=CCl

InChI

InChI=1S/C6H12ClO4P/c1-3-9-12(8,10-4-2)11-6-5-7/h5-6H,3-4H2,1-2H3

InChIKey

DKMDOBOUUAGJNY-UHFFFAOYSA-N

Compound name

2-chloroethenyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2639
Patents: 214.01617 Da
Monoisotopic Mass: 1.3
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]+	215.02345	142.6
[M+Na]+	237.00539	151.3
[M-H]-	213.00889	142.1
[M+NH4]+	232.04999	163.1
[M+K]+	252.97933	149.7
[M+H-H2O]+	197.01343	137.0
[M+HCOO]-	259.01437	167.0
[M+CH3COO]-	273.03002	183.8
[M+Na-2H]-	234.99084	147.0
[M]+	214.01562	151.4
[M]-	214.01672	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe