CID 153987

3,3'-dibromo-1,1'-biphenyl

Structural Information

Molecular Formula
C12H8Br2
SMILES
C1=CC(=CC(=C1)Br)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKey
LPLLWKZDMKTEMV-UHFFFAOYSA-N
Compound name
1-bromo-3-(3-bromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

726
Patents

309.8993 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.90658 145.3
[M+Na]+ 332.88852 156.2
[M-H]- 308.89202 154.6
[M+NH4]+ 327.93312 164.2
[M+K]+ 348.86246 140.9
[M+H-H2O]+ 292.89656 153.8
[M+HCOO]- 354.89750 162.3
[M+CH3COO]- 368.91315 159.8
[M+Na-2H]- 330.87397 153.2
[M]+ 309.89875 178.7
[M]- 309.89985 178.7
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