CID 86208510

2,3',4,5'-tetrabromodiphenyl ether

Structural Information

Molecular Formula
C12H6Br4O
SMILES
C1=CC(=C(C=C1Br)Br)OC2=CC(=CC(=C2)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-7-1-2-12(11(16)6-7)17-10-4-8(14)3-9(15)5-10/h1-6H
InChIKey
UFWGRLCUOLLWAO-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(2,4-dibromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

literature stripe

Patent stripe

patents stripe