CID 46782369

27220-35-5

Structural Information

Molecular Formula

C₁₈H₁₄Cl₄N₂O

SMILES

C1=CC(=C(C=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl

InChI

InChI=1S/C18H14Cl4N2O/c19-13-2-3-14(16(21)8-13)18(9-24-6-5-23-11-24)25-10-12-1-4-15(20)17(22)7-12/h1-8,11,18H,9-10H2

InChIKey

SZRYZAYGHYHAFH-UHFFFAOYSA-N

Compound name

1-[2-(2,4-dichlorophenyl)-2-[(3,4-dichlorophenyl)methoxy]ethyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 413.98602 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]+	414.993296	189.7
[M+Na]+	436.975238	199.0
[M-H]-	412.978744	192.7
[M+NH4]+	432.019843	200.2
[M+K]+	452.949178	191.4
[M+H-H2O]+	396.983280	180.4
[M+HCOO]-	458.984221	189.9
[M+CH3COO]-	472.999871	197.6
[M+Na-2H]-	434.960686	187.2
[M]+	413.98547142	194.1
[M]-	413.98656858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.