CID 86208519

3,3',4,5'-tetrabromodiphenyl ether

Structural Information

Molecular Formula
C12H6Br4O
SMILES
C1=CC(=C(C=C1OC2=CC(=CC(=C2)Br)Br)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6H
InChIKey
LELQGHJEUVRPEV-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(3,5-dibromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.7152 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.72248 154.9
[M+Na]+ 504.70442 160.9
[M-H]- 480.70792 160.1
[M+NH4]+ 499.74902 164.7
[M+K]+ 520.67836 148.7
[M+H-H2O]+ 464.71246 173.3
[M+HCOO]- 526.71340 161.0
[M+CH3COO]- 540.72905 238.2
[M+Na-2H]- 502.68987 157.5
[M]+ 481.71465 193.9
[M]- 481.71575 193.9
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.