CID 735484

3-[(2,6-dichlorobenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C14H10Cl2O2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-8H,9H2

InChIKey

BOBBJQABUQGRJP-UHFFFAOYSA-N

Compound name

3-[(2,6-dichlorophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 280.0058 Da
Monoisotopic Mass: 4.1
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]+	281.013076	156.7
[M+Na]+	302.995018	167.6
[M-H]-	278.998524	163.2
[M+NH4]+	298.039623	174.4
[M+K]+	318.968958	161.2
[M+H-H2O]+	263.003060	151.1
[M+HCOO]-	325.004001	172.0
[M+CH3COO]-	339.019651	196.9
[M+Na-2H]-	300.980466	161.4
[M]+	280.00525142	162.6
[M]-	280.00634858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe