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]+ 482.722476 154.9
[M+Na]+ 504.704418 160.9
[M-H]- 480.707924 160.1
[M+NH4]+ 499.749023 164.7
[M+K]+ 520.678358 148.7
[M+H-H2O]+ 464.712460 173.3
[M+HCOO]- 526.713401 161.0
[M+CH3COO]- 540.729051 238.2
[M+Na-2H]- 502.689866 157.5
[M]+ 481.71465142 193.9
[M]- 481.71574858 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.