CID 735462

342592-68-1

Structural Information

Molecular Formula
C15H12Cl2O3
SMILES
COC1=C(C=CC(=C1)C=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3
InChIKey
INKHIZKVRPGGLJ-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

310.01636 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02364 163.6
[M+Na]+ 333.00558 174.8
[M-H]- 309.00908 170.3
[M+NH4]+ 328.05018 180.3
[M+K]+ 348.97952 168.9
[M+H-H2O]+ 293.01362 157.8
[M+HCOO]- 355.01456 178.8
[M+CH3COO]- 369.03021 203.0
[M+Na-2H]- 330.99103 167.2
[M]+ 310.01581 171.6
[M]- 310.01691 171.6
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