CID 43589934

4-(3,5-dimethoxyphenoxy)benzaldehyde

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC(=CC(=C1)OC2=CC=C(C=C2)C=O)OC
InChI
InChI=1S/C15H14O4/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-11(10-16)4-6-12/h3-10H,1-2H3
InChIKey
DCTJEWSCQVMUSN-UHFFFAOYSA-N
Compound name
4-(3,5-dimethoxyphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.2
[M+Na]+ 281.07842 164.2
[M-H]- 257.08192 162.6
[M+NH4]+ 276.12302 172.2
[M+K]+ 297.05236 161.9
[M+H-H2O]+ 241.08646 147.5
[M+HCOO]- 303.08740 180.3
[M+CH3COO]- 317.10305 195.9
[M+Na-2H]- 279.06387 160.7
[M]+ 258.08865 160.8
[M]- 258.08975 160.8
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.