CID 36980

2,5-dichlorobiphenyl

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

15
References

295
Patents

222.0003 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00758 142.6
[M+Na]+ 244.98952 153.3
[M-H]- 220.99302 148.9
[M+NH4]+ 240.03412 162.4
[M+K]+ 260.96346 146.6
[M+H-H2O]+ 204.99756 137.5
[M+HCOO]- 266.99850 157.9
[M+CH3COO]- 281.01415 156.3
[M+Na-2H]- 242.97497 149.1
[M]+ 221.99975 145.2
[M]- 222.00085 145.2
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