CID 5012072

14254-41-2

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

144
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 183.0
[M+Na]+ 426.83895 198.0
[M+NH4]+ 421.88355 190.0
[M+K]+ 442.81289 189.4
[M-H]- 402.84245 184.5
[M+Na-2H]- 424.82440 189.4
[M]+ 403.84918 187.0
[M]- 403.85028 187.0
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