CID 140357260

Octabromodiphenyl ethane

Structural Information

Molecular Formula
C14H10Br8
SMILES
CC(C1=CC=CC=C1)C2(C=C(C(C(C2(Br)Br)(Br)Br)(Br)Br)Br)Br
InChI
InChI=1S/C14H10Br8/c1-8(9-5-3-2-4-6-9)11(16)7-10(15)12(17,18)14(21,22)13(11,19)20/h2-8H,1H3
InChIKey
AGWXMTAUDHDUSZ-UHFFFAOYSA-N
Compound name
1,3,4,4,5,5,6,6-octabromo-3-(1-phenylethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

809.4249 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.43218 169.9
[M+Na]+ 832.41412 169.9
[M+NH4]+ 827.45872 169.9
[M+K]+ 848.38806 169.9
[M-H]- 808.41762 169.9
[M+Na-2H]- 830.39957 169.9
[M]+ 809.42435 169.9
[M]- 809.42545 169.9
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