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

0
Patents

603.68085 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.68813 234.2
[M+Na]+ 626.67007 235.0
[M-H]- 602.67357 221.9
[M+NH4]+ 621.71467 232.5
[M+K]+ 642.64401 238.7
[M+H-H2O]+ 586.67811 227.5
[M+HCOO]- 648.67905 208.3
[M+CH3COO]- 662.69470 228.1
[M+Na-2H]- 624.65552 216.9
[M]+ 603.68030 218.2
[M]- 603.68140 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

No patent data available for this compound.