CID 35761

2,2',4,4',6,6'-hexachlorodiphenyl ether

Structural Information

Molecular Formula
C12H4Cl6O
SMILES
C1=C(C=C(C(=C1Cl)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl6O/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18/h1-4H
InChIKey
UPFQVVDUHJVSON-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2-(2,4,6-trichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

373.83932 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.84660 174.3
[M+Na]+ 396.82854 184.2
[M-H]- 372.83204 173.2
[M+NH4]+ 391.87314 186.1
[M+K]+ 412.80248 179.3
[M+H-H2O]+ 356.83658 170.7
[M+HCOO]- 418.83752 167.1
[M+CH3COO]- 432.85317 181.4
[M+Na-2H]- 394.81399 171.3
[M]+ 373.83877 174.2
[M]- 373.83987 174.2
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.