CID 16449

3-bromobiphenyl

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3641
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 141.9
[M+Na]+ 254.97797 153.4
[M-H]- 230.98147 151.3
[M+NH4]+ 250.02257 163.4
[M+K]+ 270.95191 141.9
[M+H-H2O]+ 214.98601 142.0
[M+HCOO]- 276.98695 164.5
[M+CH3COO]- 291.00260 157.6
[M+Na-2H]- 252.96342 151.3
[M]+ 231.98820 159.5
[M]- 231.98930 159.5
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