CID 2219704

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

Structural Information

Molecular Formula
C17H17BrO4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCCOC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H17BrO4/c1-2-20-17-11-13(12-19)3-8-16(17)22-10-9-21-15-6-4-14(18)5-7-15/h3-8,11-12H,2,9-10H2,1H3
InChIKey
XVSSITMVLMCFDP-UHFFFAOYSA-N
Compound name
4-[2-(4-bromophenoxy)ethoxy]-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.031 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03828 174.4
[M+Na]+ 387.02022 184.8
[M-H]- 363.02372 183.3
[M+NH4]+ 382.06482 190.8
[M+K]+ 402.99416 173.9
[M+H-H2O]+ 347.02826 172.3
[M+HCOO]- 409.02920 196.0
[M+CH3COO]- 423.04485 210.3
[M+Na-2H]- 385.00567 179.5
[M]+ 364.03045 198.7
[M]- 364.03155 198.7
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.