CID 165090

3212-19-9

Structural Information

Molecular Formula

C₅H₈Cl₃O₄P

SMILES

COP(=O)(OCCCl)OC=C(Cl)Cl

InChI

InChI=1S/C5H8Cl3O4P/c1-10-13(9,11-3-2-6)12-4-5(7)8/h4H,2-3H2,1H3

InChIKey

GWZQTALMOBAZOL-UHFFFAOYSA-N

Compound name

2-chloroethyl 2,2-dichloroethenyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.92258 Da
Monoisotopic Mass: 2.0
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]+	268.92986	144.9
[M+Na]+	290.91180	154.4
[M-H]-	266.91530	143.7
[M+NH4]+	285.95640	163.6
[M+K]+	306.88574	150.6
[M+H-H2O]+	250.91984	141.5
[M+HCOO]-	312.92078	158.3
[M+CH3COO]-	326.93643	191.7
[M+Na-2H]-	288.89725	147.6
[M]+	267.92203	153.3
[M]-	267.92313	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe