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

146
Patents

403.84973 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.85701 173.9
[M+Na]+ 426.83895 184.6
[M-H]- 402.84245 175.7
[M+NH4]+ 421.88355 186.6
[M+K]+ 442.81289 179.4
[M+H-H2O]+ 386.84699 168.4
[M+HCOO]- 448.84793 176.4
[M+CH3COO]- 462.86358 216.9
[M+Na-2H]- 424.82440 172.9
[M]+ 403.84918 179.0
[M]- 403.85028 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