CID 25475

Aroclor 5460

Structural Information

Molecular Formula
C18H5Cl9
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C=C(C(=C2Cl)Cl)C3=C(C(=CC(=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H5Cl9/c19-7-3-8(15(24)13(23)4-7)9-5-10(20)14(18(27)16(9)25)6-1-11(21)17(26)12(22)2-6/h1-5H
InChIKey
PPBRFJLRPRQPEC-UHFFFAOYSA-N
Compound name
1,3,4-trichloro-5-(2,3,5-trichlorophenyl)-2-(3,4,5-trichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

535.7588 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.76608 217.0
[M+Na]+ 558.74802 221.8
[M-H]- 534.75152 209.3
[M+NH4]+ 553.79262 219.5
[M+K]+ 574.72196 221.5
[M+H-H2O]+ 518.75606 210.8
[M+HCOO]- 580.75700 195.9
[M+CH3COO]- 594.77265 215.6
[M+Na-2H]- 556.73347 204.3
[M]+ 535.75825 207.4
[M]- 535.75935 207.4
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