CID 4361784

17776-78-2

Structural Information

Molecular Formula
C12H8Cl3O3P
SMILES
C1=CC=C(C(=C1)OP(=O)(OC2=CC=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C12H8Cl3O3P/c13-9-5-1-3-7-11(9)17-19(15,16)18-12-8-4-2-6-10(12)14/h1-8H
InChIKey
ZLSGEMKKBUVQOM-UHFFFAOYSA-N
Compound name
1-chloro-2-[chloro-(2-chlorophenoxy)phosphoryl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

335.92767 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.93495 163.2
[M+Na]+ 358.91689 173.9
[M-H]- 334.92039 168.0
[M+NH4]+ 353.96149 179.1
[M+K]+ 374.89083 168.1
[M+H-H2O]+ 318.92493 156.3
[M+HCOO]- 380.92587 177.4
[M+CH3COO]- 394.94152 204.1
[M+Na-2H]- 356.90234 166.1
[M]+ 335.92712 170.4
[M]- 335.92822 170.4
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