CID 25472

Aroclor 4465

Structural Information

Molecular Formula
C18H3Cl11
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)C3=C(C(=C(C=C3Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H3Cl11/c19-5-2-7(21)6(20)1-4(5)10-14(25)17(28)12(18(29)15(10)26)11-8(22)3-9(23)13(24)16(11)27/h1-3H
InChIKey
DCWGVTFYEARJCZ-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3-(2,3,4,6-tetrachlorophenyl)-6-(2,4,5-trichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

603.68085 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.688126 234.2
[M+Na]+ 626.670068 235.0
[M-H]- 602.673574 221.9
[M+NH4]+ 621.714673 232.5
[M+K]+ 642.644008 238.7
[M+H-H2O]+ 586.678110 227.5
[M+HCOO]- 648.679051 208.3
[M+CH3COO]- 662.694701 228.1
[M+Na-2H]- 624.655516 216.9
[M]+ 603.68030142 218.2
[M]- 603.68139858 218.2
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

patents stripe