CID 735453

70627-17-7

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

C1=CC(=CC=C1C=O)OCC2=C(C=C(C=C2)Cl)Cl

InChI

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

InChIKey

MCFMTPMHCQCPNT-UHFFFAOYSA-N

Compound name

4-[(2,4-dichlorophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 280.0058 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]+	281.01308	156.7
[M+Na]+	302.99502	167.6
[M-H]-	278.99852	163.2
[M+NH4]+	298.03962	174.4
[M+K]+	318.96896	161.2
[M+H-H2O]+	263.00306	151.1
[M+HCOO]-	325.00400	172.0
[M+CH3COO]-	339.01965	196.9
[M+Na-2H]-	300.98047	161.4
[M]+	280.00525	162.6
[M]-	280.00635	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe