CID 102381

3212-18-8

Structural Information

Molecular Formula

C₇H₁₂Cl₃O₄P

SMILES

CCOP(=O)(OCCCCl)OC=C(Cl)Cl

InChI

InChI=1S/C7H12Cl3O4P/c1-2-12-15(11,13-5-3-4-8)14-6-7(9)10/h6H,2-5H2,1H3

InChIKey

BMPRZYGSUCLJTE-UHFFFAOYSA-N

Compound name

3-chloropropyl 2,2-dichloroethenyl ethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.9539 Da
Monoisotopic Mass: 2.7
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]+	296.96118	154.3
[M+Na]+	318.94312	163.0
[M-H]-	294.94662	152.8
[M+NH4]+	313.98772	172.0
[M+K]+	334.91706	158.7
[M+H-H2O]+	278.95116	150.5
[M+HCOO]-	340.95210	167.1
[M+CH3COO]-	354.96775	197.3
[M+Na-2H]-	316.92857	156.0
[M]+	295.95335	163.5
[M]-	295.95445	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe