CID 591322

2,2',5,5'-tetrabromobiphenyl

Structural Information

Molecular Formula
C12H6Br4
SMILES
C1=CC(=C(C=C1Br)C2=C(C=CC(=C2)Br)Br)Br
InChI
InChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
InChIKey
XEFMFJLRXHQLEM-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-(2,5-dibromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

5
Patents

465.7203 Da
Monoisotopic Mass

6.4
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

literature stripe

Patent stripe

patents stripe