CID 154484

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

Structural Information

Molecular Formula
C12H4Br6
SMILES
C1=CC(=C(C(=C1Br)C2=CC(=C(C(=C2)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H4Br6/c13-6-1-2-7(14)12(18)10(6)5-3-8(15)11(17)9(16)4-5/h1-4H
InChIKey
ARNGRRVFGZFOFY-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-5-(2,3,6-tribromophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
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]+ 622.54858 180.1
[M+Na]+ 644.53052 189.4
[M-H]- 620.53402 184.1
[M+NH4]+ 639.57512 185.8
[M+K]+ 660.50446 179.2
[M+H-H2O]+ 604.53856 194.2
[M+HCOO]- 666.53950 182.8
[M+CH3COO]- 680.55515 182.8
[M+Na-2H]- 642.51597 178.4
[M]+ 621.54075 201.1
[M]- 621.54185 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.