CID 5012072

Bis(2,4-dichlorophenyl) chlorophosphate

Structural Information

Molecular Formula
C12H6Cl5O3P
SMILES
C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey
RHQSBXZVIMBYKW-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

403.84973 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.857006 173.9
[M+Na]+ 426.838948 184.6
[M-H]- 402.842454 175.7
[M+NH4]+ 421.883553 186.6
[M+K]+ 442.812888 179.4
[M+H-H2O]+ 386.846990 168.4
[M+HCOO]- 448.847931 176.4
[M+CH3COO]- 462.863581 216.9
[M+Na-2H]- 424.824396 172.9
[M]+ 403.84918142 179.0
[M]- 403.85027858 179.0
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

patents stripe