CID 36342

2,6-dichlorobiphenyl

Structural Information

Molecular Formula
C12H8Cl2
SMILES
C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
InChIKey
IYZWUWBAFUBNCH-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

127
Patents

222.0003 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00758 143.9
[M+Na]+ 244.98952 162.4
[M+NH4]+ 240.03412 155.2
[M+K]+ 260.96346 151.8
[M-H]- 220.99302 150.0
[M+Na-2H]- 242.97497 155.7
[M]+ 221.99975 149.3
[M]- 222.00085 149.3
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