CID 16305

2050-47-7

Structural Information

Molecular Formula
C12H8Br2O
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
YAWIAFUBXXPJMQ-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

1960
Patents

325.8942 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.90148 147.7
[M+Na]+ 348.88342 158.4
[M-H]- 324.88692 157.0
[M+NH4]+ 343.92802 166.0
[M+K]+ 364.85736 143.6
[M+H-H2O]+ 308.89146 155.9
[M+HCOO]- 370.89240 164.8
[M+CH3COO]- 384.90805 206.7
[M+Na-2H]- 346.86887 155.6
[M]+ 325.89365 182.2
[M]- 325.89475 182.2
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