CID 120331

690-88-0

Structural Information

Molecular Formula
C11H19Cl6O3P
SMILES
CP(=O)(OCCCCC(Cl)(Cl)Cl)OCCCCC(Cl)(Cl)Cl
InChI
InChI=1S/C11H19Cl6O3P/c1-21(18,19-8-4-2-6-10(12,13)14)20-9-5-3-7-11(15,16)17/h2-9H2,1H3
InChIKey
AFQNWMVQYHPDBO-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-5-[methyl(5,5,5-trichloropentoxy)phosphoryl]oxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.9203 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.92758 198.8
[M+Na]+ 462.90952 206.4
[M+NH4]+ 457.95412 202.6
[M+K]+ 478.88346 199.9
[M-H]- 438.91302 194.0
[M+Na-2H]- 460.89497 198.2
[M]+ 439.91975 199.6
[M]- 439.92085 199.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.