CID 41551

2,3',4-trichlorobiphenyl

Structural Information

Molecular Formula
C12H7Cl3
SMILES
C1=CC(=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-5-4-10(14)7-12(11)15/h1-7H
InChIKey
XBBZAULFUPBZSP-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(3-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

65
Patents

255.96133 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.968606 148.9
[M+Na]+ 278.950548 160.3
[M-H]- 254.954054 154.0
[M+NH4]+ 273.995153 167.5
[M+K]+ 294.924488 153.0
[M+H-H2O]+ 238.958590 144.4
[M+HCOO]- 300.959531 158.6
[M+CH3COO]- 314.975181 161.6
[M+Na-2H]- 276.935996 153.4
[M]+ 255.96078142 152.0
[M]- 255.96187858 152.0
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