CID 22833475

Tetrabromodiphenyl ether

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

622
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

literature stripe

Patent stripe

patents stripe