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 195.1
[M+Na]+ 462.90952 200.4
[M-H]- 438.91302 189.2
[M+NH4]+ 457.95412 205.4
[M+K]+ 478.88346 195.6
[M+H-H2O]+ 422.91756 191.6
[M+HCOO]- 484.91850 187.6
[M+CH3COO]- 498.93415 222.9
[M+Na-2H]- 460.89497 192.5
[M]+ 439.91975 197.3
[M]- 439.92085 197.3
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.