CID 28604079

4-(3-bromophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H9BrO2
SMILES
C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H9BrO2/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-9H
InChIKey
WOJPUZRGCMLGCY-UHFFFAOYSA-N
Compound name
4-(3-bromophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

275.97858 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.985856 150.9
[M+Na]+ 298.967798 162.7
[M-H]- 274.971304 160.4
[M+NH4]+ 294.012403 170.7
[M+K]+ 314.941738 151.5
[M+H-H2O]+ 258.975840 150.3
[M+HCOO]- 320.976781 173.6
[M+CH3COO]- 334.992431 194.2
[M+Na-2H]- 296.953246 158.9
[M]+ 275.97803142 171.1
[M]- 275.97912858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe