CID 13766701

2,3,4,5-tetrabromodiphenyl ether

Structural Information

Molecular Formula
C12H6Br4O
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C12H6Br4O/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H
InChIKey
NDRSXNBQWAOQPP-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromo-5-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

639
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