CID 735469

4-[(2,6-dichlorophenyl)methoxy]-3-ethoxybenzaldehyde

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂O₃

SMILES

CCOC1=C(C=CC(=C1)C=O)OCC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C16H14Cl2O3/c1-2-20-16-8-11(9-19)6-7-15(16)21-10-12-13(17)4-3-5-14(12)18/h3-9H,2,10H2,1H3

InChIKey

YYKGJSYGQDBZLW-UHFFFAOYSA-N

Compound name

4-[(2,6-dichlorophenyl)methoxy]-3-ethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.032 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.039276	168.3
[M+Na]+	347.021218	179.0
[M-H]-	323.024724	174.8
[M+NH4]+	342.065823	184.4
[M+K]+	362.995158	172.9
[M+H-H2O]+	307.029260	162.3
[M+HCOO]-	369.030201	183.2
[M+CH3COO]-	383.045851	205.9
[M+Na-2H]-	345.006666	171.3
[M]+	324.03145142	176.7
[M]-	324.03254858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.