CID 12939405

2-bromo-4'-chloro-1,1'-biphenyl

Structural Information

Molecular Formula
C12H8BrCl
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Br
InChI
InChI=1S/C12H8BrCl/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8H
InChIKey
WSHZWUXRWQVZQP-UHFFFAOYSA-N
Compound name
1-bromo-2-(4-chlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

265.9498 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95708 146.9
[M+Na]+ 288.93902 160.3
[M-H]- 264.94252 156.4
[M+NH4]+ 283.98362 168.3
[M+K]+ 304.91296 146.8
[M+H-H2O]+ 248.94706 147.7
[M+HCOO]- 310.94800 165.1
[M+CH3COO]- 324.96365 162.7
[M+Na-2H]- 286.92447 155.2
[M]+ 265.94925 166.9
[M]- 265.95035 166.9
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