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 167.2
[M+Na]+ 357.00967 178.3
[M-H]- 333.01317 176.4
[M+NH4]+ 352.05427 184.9
[M+K]+ 372.98361 167.0
[M+H-H2O]+ 317.01771 165.7
[M+HCOO]- 379.01865 189.0
[M+CH3COO]- 393.03430 205.6
[M+Na-2H]- 354.99512 172.8
[M]+ 334.01990 189.9
[M]- 334.02100 189.9
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.