CID 153896

2,2',3,4,4',5,6,6'-octabromobiphenyl

Structural Information

Molecular Formula
C12H2Br8
SMILES
C1=C(C=C(C(=C1Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H2Br8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H
InChIKey
PFBOUFHNJQYEJX-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-(2,4,6-tribromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

777.36237 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.36965 174.3
[M+Na]+ 800.35159 184.6
[M-H]- 776.35509 177.9
[M+NH4]+ 795.39619 178.2
[M+K]+ 816.32553 176.2
[M+H-H2O]+ 760.35963 180.4
[M+HCOO]- 822.36057 176.5
[M+CH3COO]- 836.37622 175.4
[M+Na-2H]- 798.33704 172.0
[M]+ 777.36182 181.7
[M]- 777.36292 181.7
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.