CID 3068296

83338-18-5

Structural Information

Molecular Formula

C₁₈H₁₄Cl₄N₂O₂

SMILES

C1=CC(=C(C(=C1)Cl)Cl)OCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H14Cl4N2O2/c19-12-4-5-13(15(21)8-12)18(25,9-24-7-6-23-11-24)10-26-16-3-1-2-14(20)17(16)22/h1-8,11,25H,9-10H2

InChIKey

LZPRZXBMDHIPJM-UHFFFAOYSA-N

Compound name

1-(2,3-dichlorophenoxy)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 429.98093 Da
Monoisotopic Mass: 4.8
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]+	430.988206	193.8
[M+Na]+	452.970148	203.2
[M-H]-	428.973654	196.3
[M+NH4]+	448.014753	203.3
[M+K]+	468.944088	195.7
[M+H-H2O]+	412.978190	185.1
[M+HCOO]-	474.979131	192.3
[M+CH3COO]-	488.994781	201.3
[M+Na-2H]-	450.955596	192.9
[M]+	429.98038142	197.9
[M]-	429.98147858	197.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.