CID 3056461

Bis(2,4-dichlorophenyl)phenylphosphonate

Structural Information

Molecular Formula
C18H11Cl4O3P
SMILES
C1=CC=C(C=C1)P(=O)(OC2=C(C=C(C=C2)Cl)Cl)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H11Cl4O3P/c19-12-6-8-17(15(21)10-12)24-26(23,14-4-2-1-3-5-14)25-18-9-7-13(20)11-16(18)22/h1-11H
InChIKey
FFLIJNFPOARVJM-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.91998 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.92726 196.5
[M+Na]+ 468.90920 213.9
[M+NH4]+ 463.95380 204.4
[M+K]+ 484.88314 203.6
[M-H]- 444.91270 201.2
[M+Na-2H]- 466.89465 205.9
[M]+ 445.91943 201.7
[M]- 445.92053 201.7
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.