CID 205023

17196-87-1

Structural Information

Molecular Formula

C₉H₁₇Cl₂O₄P

SMILES

CCCCCCOP(=O)(OC)OC=C(Cl)Cl

InChI

InChI=1S/C9H17Cl2O4P/c1-3-4-5-6-7-14-16(12,13-2)15-8-9(10)11/h8H,3-7H2,1-2H3

InChIKey

XGIDVWKQVFFHAU-UHFFFAOYSA-N

Compound name

2,2-dichloroethenyl hexyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.02414 Da
Monoisotopic Mass: 3.7
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]+	291.03142	160.0
[M+Na]+	313.01336	167.9
[M-H]-	289.01686	158.9
[M+NH4]+	308.05796	178.0
[M+K]+	328.98730	164.2
[M+H-H2O]+	273.02140	155.0
[M+HCOO]-	335.02234	177.6
[M+CH3COO]-	349.03799	198.0
[M+Na-2H]-	310.99881	161.3
[M]+	290.02359	170.2
[M]-	290.02469	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe