CID 2405936

4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C16H15BrO4
SMILES
COC1=C(C=CC(=C1)C=O)OCCOC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H15BrO4/c1-19-16-9-12(11-18)5-6-15(16)21-8-7-20-14-4-2-3-13(17)10-14/h2-6,9-11H,7-8H2,1H3
InChIKey
PRKNXKFPTXIGPX-UHFFFAOYSA-N
Compound name
4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.01538 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02266 169.8
[M+Na]+ 373.00460 180.7
[M-H]- 349.00810 178.9
[M+NH4]+ 368.04920 186.7
[M+K]+ 388.97854 169.9
[M+H-H2O]+ 333.01264 167.9
[M+HCOO]- 395.01358 191.7
[M+CH3COO]- 409.02923 207.5
[M+Na-2H]- 370.99005 175.4
[M]+ 350.01483 193.8
[M]- 350.01593 193.8
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.