CID 92426

103582-29-2

Structural Information

Molecular Formula
C12Br8O
SMILES
C12=C(C(=C(C(=C1Br)Br)Br)Br)OC3=C2C(=C(C(=C3Br)Br)Br)Br
InChI
InChI=1S/C12Br8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
InChIKey
JRDWDRVPBYIYGL-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8,9-octabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

791.3416 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 792.34888 172.7
[M+Na]+ 814.33082 182.9
[M-H]- 790.33432 176.4
[M+NH4]+ 809.37542 176.7
[M+K]+ 830.30476 174.8
[M+H-H2O]+ 774.33886 178.8
[M+HCOO]- 836.33980 174.9
[M+CH3COO]- 850.35545 173.9
[M+Na-2H]- 812.31627 170.6
[M]+ 791.34105 180.1
[M]- 791.34215 180.1
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

patents stripe