CID 16329

2-bromobiphenyl

Structural Information

Molecular Formula
C12H9Br
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2Br
InChI
InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
KTADSLDAUJLZGL-UHFFFAOYSA-N
Compound name
1-bromo-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

6505
Patents

231.98875 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99603 139.8
[M+Na]+ 254.97797 146.6
[M+NH4]+ 250.02257 146.8
[M+K]+ 270.95191 144.1
[M-H]- 230.98147 144.0
[M+Na-2H]- 252.96342 148.0
[M]+ 231.98820 141.1
[M]- 231.98930 141.1
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