CID 3056543

Phosphonic acid, phenyl-, bis(2,4,5-trichlorophenyl) ester

Structural Information

Molecular Formula
C18H9Cl6O3P
SMILES
C1=CC=C(C=C1)P(=O)(OC2=CC(=C(C=C2Cl)Cl)Cl)OC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C18H9Cl6O3P/c19-11-6-15(23)17(8-13(11)21)26-28(25,10-4-2-1-3-5-10)27-18-9-14(22)12(20)7-16(18)24/h1-9H
InChIKey
LIFGZUWNYTWDAP-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-[phenyl-(2,4,5-trichlorophenoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.84204 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.84932 199.7
[M+Na]+ 536.83126 209.2
[M-H]- 512.83476 201.4
[M+NH4]+ 531.87586 207.5
[M+K]+ 552.80520 204.7
[M+H-H2O]+ 496.83930 192.2
[M+HCOO]- 558.84024 195.8
[M+CH3COO]- 572.85589 234.9
[M+Na-2H]- 534.81671 194.8
[M]+ 513.84149 203.2
[M]- 513.84259 203.2
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.