CID 218149

40282-81-3

Structural Information

Molecular Formula

C₆H₁₀Cl₃O₄P

SMILES

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

InChI

InChI=1S/C6H10Cl3O4P/c1-11-14(10,12-4-2-3-7)13-5-6(8)9/h5H,2-4H2,1H3

InChIKey

UKRKQSPQYNPCOJ-UHFFFAOYSA-N

Compound name

3-chloropropyl 2,2-dichloroethenyl methyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.93823 Da
Monoisotopic Mass: 2.3
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]+	282.94551	149.6
[M+Na]+	304.92745	158.7
[M-H]-	280.93095	148.3
[M+NH4]+	299.97205	167.8
[M+K]+	320.90139	154.6
[M+H-H2O]+	264.93549	146.0
[M+HCOO]-	326.93643	162.8
[M+CH3COO]-	340.95208	194.5
[M+Na-2H]-	302.91290	151.8
[M]+	281.93768	158.4
[M]-	281.93878	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe