CID 215792

Dipropyl 5,5,5-trichloropentyl phosphate

Structural Information

Molecular Formula
C11H22Cl3O4P
SMILES
CCCOP(=O)(OCCC)OCCCCC(Cl)(Cl)Cl
InChI
InChI=1S/C11H22Cl3O4P/c1-3-8-16-19(15,17-9-4-2)18-10-6-5-7-11(12,13)14/h3-10H2,1-2H3
InChIKey
NCLQMFBJKOTTGD-UHFFFAOYSA-N
Compound name
dipropyl 5,5,5-trichloropentyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.03214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03942 176.1
[M+Na]+ 377.02136 183.5
[M-H]- 353.02486 174.2
[M+NH4]+ 372.06596 191.8
[M+K]+ 392.99530 178.8
[M+H-H2O]+ 337.02940 171.6
[M+HCOO]- 399.03034 186.8
[M+CH3COO]- 413.04599 209.3
[M+Na-2H]- 375.00681 177.8
[M]+ 354.03159 187.4
[M]- 354.03269 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.