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]+ 276.98586 150.9
[M+Na]+ 298.96780 162.7
[M-H]- 274.97130 160.4
[M+NH4]+ 294.01240 170.7
[M+K]+ 314.94174 151.5
[M+H-H2O]+ 258.97584 150.3
[M+HCOO]- 320.97678 173.6
[M+CH3COO]- 334.99243 194.2
[M+Na-2H]- 296.95325 158.9
[M]+ 275.97803 171.1
[M]- 275.97913 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