CID 51041

2,2',4,5-tetrachlorobiphenyl

Structural Information

Molecular Formula
C12H6Cl4
SMILES
C1=CC=C(C(=C1)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H
InChIKey
XBTHILIDLBPRPM-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(2-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

22
Patents

289.92236 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.929636 155.8
[M+Na]+ 312.911578 167.2
[M-H]- 288.915084 159.1
[M+NH4]+ 307.956183 172.6
[M+K]+ 328.885518 159.9
[M+H-H2O]+ 272.919620 151.7
[M+HCOO]- 334.920561 159.6
[M+CH3COO]- 348.936211 167.0
[M+Na-2H]- 310.897026 158.0
[M]+ 289.92181142 158.3
[M]- 289.92290858 158.3
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