CID 120168

71-98-7

Structural Information

Molecular Formula

C₈H₁₅Cl₂O₄P

SMILES

CCCOP(=O)(OCCC)OC=C(Cl)Cl

InChI

InChI=1S/C8H15Cl2O4P/c1-3-5-12-15(11,13-6-4-2)14-7-8(9)10/h7H,3-6H2,1-2H3

InChIKey

OBUPKOWLJDGPFA-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl dipropyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 276.0085 Da
Monoisotopic Mass: 3.2
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]+	277.01578	155.2
[M+Na]+	298.99772	163.5
[M-H]-	275.00122	154.3
[M+NH4]+	294.04232	173.7
[M+K]+	314.97166	160.1
[M+H-H2O]+	259.00576	150.4
[M+HCOO]-	321.00670	173.1
[M+CH3COO]-	335.02235	195.1
[M+Na-2H]-	296.98317	157.1
[M]+	276.00795	165.0
[M]-	276.00905	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe