CID 3054894

71821-01-7

Structural Information

Molecular Formula
C18H15Cl3N2O2
SMILES
C1=CC(=CC=C1OCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O2/c19-13-1-4-15(5-2-13)24-12-25-18(10-23-8-7-22-11-23)16-6-3-14(20)9-17(16)21/h1-9,11,18H,10,12H2
InChIKey
MNSWSOHVTBHGEF-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0199 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.027176 186.0
[M+Na]+ 419.009118 195.1
[M-H]- 395.012624 191.0
[M+NH4]+ 414.053723 197.3
[M+K]+ 434.983058 188.0
[M+H-H2O]+ 379.017160 176.4
[M+HCOO]- 441.018101 192.2
[M+CH3COO]- 455.033751 195.2
[M+Na-2H]- 416.994566 185.8
[M]+ 396.01935142 192.4
[M]- 396.02044858 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.