CID 123553

3-(4-methoxyphenoxy)benzaldehyde

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
InChI
InChI=1S/C14H12O3/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-10H,1H3
InChIKey
WLFDEVVCXPTAQA-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

228.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 147.9
[M+Na]+ 251.067858 156.5
[M-H]- 227.071364 155.0
[M+NH4]+ 246.112463 165.9
[M+K]+ 267.041798 153.8
[M+H-H2O]+ 211.075900 140.5
[M+HCOO]- 273.076841 173.1
[M+CH3COO]- 287.092491 189.6
[M+Na-2H]- 249.053306 154.6
[M]+ 228.07809142 151.3
[M]- 228.07918858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe