CID 92384

Hexachlorodiphenyloxide

Structural Information

Molecular Formula
C12H4Cl6O
SMILES
C1=CC(=C(C(=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H
InChIKey
ATIMVMORQPKRPC-UHFFFAOYSA-N
Compound name
1,2,3-trichloro-4-(2,3,4-trichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

46
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

literature stripe

Patent stripe

patents stripe