CID 53288

1,2,3,4,6,7-hexabromonaphthalene

Structural Information

Molecular Formula
C10H2Br6
SMILES
C1=C2C(=CC(=C1Br)Br)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C10H2Br6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H
InChIKey
GTFBYYPAXJKCMP-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7-hexabromonaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

595.5257 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.53298 176.0
[M+Na]+ 618.51492 185.6
[M-H]- 594.51842 179.9
[M+NH4]+ 613.55952 182.0
[M+K]+ 634.48886 175.3
[M+H-H2O]+ 578.52296 190.2
[M+HCOO]- 640.52390 178.8
[M+CH3COO]- 654.53955 179.1
[M+Na-2H]- 616.50037 174.8
[M]+ 595.52515 197.1
[M]- 595.52625 197.1
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

No patent data available for this compound.