CID 674617

4-(benzyloxy)-3-bromo-5-ethoxybenzaldehyde

Structural Information

Molecular Formula
C16H15BrO3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Br)OCC2=CC=CC=C2
InChI
InChI=1S/C16H15BrO3/c1-2-19-15-9-13(10-18)8-14(17)16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey
RWFBRUQCEROCJA-UHFFFAOYSA-N
Compound name
3-bromo-5-ethoxy-4-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.02045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02773 166.4
[M+Na]+ 357.00967 171.7
[M+NH4]+ 352.05427 170.9
[M+K]+ 372.98361 169.8
[M-H]- 333.01317 168.9
[M+Na-2H]- 354.99512 171.6
[M]+ 334.01990 166.8
[M]- 334.02100 166.8
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

No patent data available for this compound.