CID 4447065

5-bromo-2-iodo-1,1'-biphenyl

Structural Information

Molecular Formula
C12H8BrI
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)I
InChI
InChI=1S/C12H8BrI/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
AMDHQOSYJQBOEF-UHFFFAOYSA-N
Compound name
4-bromo-1-iodo-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

357.8854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.89268 154.1
[M+Na]+ 380.87462 159.1
[M-H]- 356.87812 156.3
[M+NH4]+ 375.91922 170.1
[M+K]+ 396.84856 153.2
[M+H-H2O]+ 340.88266 150.1
[M+HCOO]- 402.88360 171.3
[M+CH3COO]- 416.89925 165.1
[M+Na-2H]- 378.86007 150.8
[M]+ 357.88485 168.4
[M]- 357.88595 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe