CID 154513

3,3',4,5'-tetrabromobiphenyl

Structural Information

Molecular Formula
C12H6Br4
SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)Br)Br)Br)Br
InChI
InChI=1S/C12H6Br4/c13-9-3-8(4-10(14)6-9)7-1-2-11(15)12(16)5-7/h1-6H
InChIKey
LCVYPBMOMVFNNO-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(3,5-dibromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

465.7203 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.72758 154.0
[M+Na]+ 488.70952 160.2
[M-H]- 464.71302 159.2
[M+NH4]+ 483.75412 164.1
[M+K]+ 504.68346 147.8
[M+H-H2O]+ 448.71756 172.6
[M+HCOO]- 510.71850 160.0
[M+CH3COO]- 524.73415 161.7
[M+Na-2H]- 486.69497 156.6
[M]+ 465.71975 192.6
[M]- 465.72085 192.6
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

No patent data available for this compound.