CID 12073151

189084-60-4

Structural Information

Molecular Formula
C12H7Br3O
SMILES
C1=CC(=C(C(=C1)Br)OC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H7Br3O/c13-8-4-6-9(7-5-8)16-12-10(14)2-1-3-11(12)15/h1-7H
InChIKey
TYDVYKIQSZGUMV-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(4-bromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.8047 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.81198 148.3
[M+Na]+ 426.79392 156.1
[M-H]- 402.79742 155.6
[M+NH4]+ 421.83852 162.2
[M+K]+ 442.76786 141.7
[M+H-H2O]+ 386.80196 163.5
[M+HCOO]- 448.80290 159.1
[M+CH3COO]- 462.81855 224.4
[M+Na-2H]- 424.77937 153.7
[M]+ 403.80415 189.7
[M]- 403.80525 189.7
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

No patent data available for this compound.