CID 120357

2-chloroethyl methyl 2,4,5-trichlorophenyl phosphate

Structural Information

Molecular Formula
C9H9Cl4O4P
SMILES
COP(=O)(OCCCl)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H9Cl4O4P/c1-15-18(14,16-3-2-10)17-9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3
InChIKey
YTUAMYFKQDWSHF-UHFFFAOYSA-N
Compound name
2-chloroethyl methyl (2,4,5-trichlorophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.89926 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.90654 161.7
[M+Na]+ 374.88848 172.5
[M-H]- 350.89198 162.6
[M+NH4]+ 369.93308 177.3
[M+K]+ 390.86242 167.9
[M+H-H2O]+ 334.89652 157.5
[M+HCOO]- 396.89746 170.1
[M+CH3COO]- 410.91311 208.1
[M+Na-2H]- 372.87393 162.7
[M]+ 351.89871 170.6
[M]- 351.89981 170.6
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.