CID 34004

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

Structural Information

Molecular Formula
C12HBr9
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12HBr9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H
InChIKey
LWICCBMIAPTSTO-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-(2,3,4,6-tetrabromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

53
Patents

855.2729 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 856.28018 158.1
[M+Na]+ 878.26212 166.1
[M-H]- 854.26562 160.9
[M+NH4]+ 873.30672 160.9
[M+K]+ 894.23606 159.9
[M+H-H2O]+ 838.27016 161.6
[M+HCOO]- 900.27110 159.8
[M+CH3COO]- 914.28675 158.8
[M+Na-2H]- 876.24757 156.4
[M]+ 855.27235 162.0
[M]- 855.27345 162.0
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

patents stripe