CID 80268

2,4-dichlorophenyl dimethyl phosphate

Structural Information

Molecular Formula
C8H9Cl2O4P
SMILES
COP(=O)(OC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H9Cl2O4P/c1-12-15(11,13-2)14-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKey
HQOXGGXIWGFFQY-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.96155 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.968826 147.9
[M+Na]+ 292.950768 158.9
[M-H]- 268.954274 151.1
[M+NH4]+ 287.995373 166.9
[M+K]+ 308.924708 155.7
[M+H-H2O]+ 252.958810 142.3
[M+HCOO]- 314.959751 167.9
[M+CH3COO]- 328.975401 193.6
[M+Na-2H]- 290.936216 151.9
[M]+ 269.96100142 157.4
[M]- 269.96209858 157.4
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.