CID 674664

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

Structural Information

Molecular Formula
C15H13BrO3
SMILES
COC1=C(C(=CC(=C1)C=O)Br)OCC2=CC=CC=C2
InChI
InChI=1S/C15H13BrO3/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
LHBCOPLQBMQCAF-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxy-4-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

320.00482 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01210 162.5
[M+Na]+ 342.99404 174.1
[M-H]- 318.99754 171.9
[M+NH4]+ 338.03864 180.8
[M+K]+ 358.96798 163.0
[M+H-H2O]+ 303.00208 161.2
[M+HCOO]- 365.00302 184.6
[M+CH3COO]- 379.01867 202.8
[M+Na-2H]- 340.97949 168.7
[M]+ 320.00427 185.0
[M]- 320.00537 185.0
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