CID 214903

Dimethyl 5,5,5-trichloropentyl phosphate

Structural Information

Molecular Formula
C7H14Cl3O4P
SMILES
COP(=O)(OC)OCCCCC(Cl)(Cl)Cl
InChI
InChI=1S/C7H14Cl3O4P/c1-12-15(11,13-2)14-6-4-3-5-7(8,9)10/h3-6H2,1-2H3
InChIKey
XPBKIUREAKCOBM-UHFFFAOYSA-N
Compound name
dimethyl 5,5,5-trichloropentyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.96954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.97682 157.5
[M+Na]+ 320.95876 166.4
[M-H]- 296.96226 156.2
[M+NH4]+ 316.00336 175.3
[M+K]+ 336.93270 162.7
[M+H-H2O]+ 280.96680 153.7
[M+HCOO]- 342.96774 169.4
[M+CH3COO]- 356.98339 198.0
[M+Na-2H]- 318.94421 161.1
[M]+ 297.96899 167.2
[M]- 297.97009 167.2
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.