CID 177368

182346-21-0

Structural Information

Molecular Formula
C12H5Br5O
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br
InChI
InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
InChIKey
DMLQSUZPTTUUDP-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

585
References

42
Patents

559.62573 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.63301 166.6
[M+Na]+ 582.61495 164.4
[M+NH4]+ 577.65955 167.2
[M+K]+ 598.58889 167.4
[M-H]- 558.61845 167.9
[M+Na-2H]- 580.60040 167.4
[M]+ 559.62518 167.1
[M]- 559.62628 167.1
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