CID 153886

2,2',3,3',4,6'-hexabromobiphenyl

Structural Information

Molecular Formula
C12H4Br6
SMILES
C1=CC(=C(C(=C1C2=C(C=CC(=C2Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H4Br6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H
InChIKey
XKHIVUOSQAVYRG-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-4-(2,3,6-tribromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

621.5413 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.548576 180.1
[M+Na]+ 644.530518 189.4
[M-H]- 620.534024 184.1
[M+NH4]+ 639.575123 185.8
[M+K]+ 660.504458 179.2
[M+H-H2O]+ 604.538560 194.2
[M+HCOO]- 666.539501 182.8
[M+CH3COO]- 680.555151 182.8
[M+Na-2H]- 642.515966 178.4
[M]+ 621.54075142 201.1
[M]- 621.54184858 201.1
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.