CID 30695

21571-58-4

Structural Information

Molecular Formula

C₁₃H₉Cl₃O

SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C13H9Cl3O/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16/h1-7H,8H2

InChIKey

BBBUWTDWCNGEGP-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-[(4-chlorophenyl)methoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.9719 Da
Monoisotopic Mass: 5.3
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]+	286.97918	156.3
[M+Na]+	308.96112	167.2
[M-H]-	284.96462	161.3
[M+NH4]+	304.00572	173.7
[M+K]+	324.93506	160.3
[M+H-H2O]+	268.96916	151.4
[M+HCOO]-	330.97010	165.9
[M+CH3COO]-	344.98575	168.5
[M+Na-2H]-	306.94657	160.3
[M]+	285.97135	161.1
[M]-	285.97245	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe