CID 189284

3,4,5-tribromobiphenyl

Structural Information

Molecular Formula
C12H7Br3
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)Br)Br
InChI
InChI=1S/C12H7Br3/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKey
GHSQRJGOIOSWQL-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-5-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

387.80978 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.81706 146.7
[M+Na]+ 410.79900 154.7
[M-H]- 386.80250 154.1
[M+NH4]+ 405.84360 161.1
[M+K]+ 426.77294 140.0
[M+H-H2O]+ 370.80704 162.1
[M+HCOO]- 432.80798 157.5
[M+CH3COO]- 446.82363 158.1
[M+Na-2H]- 408.78445 152.2
[M]+ 387.80923 187.4
[M]- 387.81033 187.4
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

No patent data available for this compound.