CID 3038106

1h-imidazole, 1-(2-((4-chlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)-1-methylethenyl)-, mononitrate

Structural Information

Molecular Formula
C19H15Cl3N2O2
SMILES
C/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCOC2=CC=C(C=C2)Cl)/N3C=CN=C3
InChI
InChI=1S/C19H15Cl3N2O2/c1-13(24-9-8-23-11-24)19(17-7-4-15(21)10-18(17)22)26-12-25-16-5-2-14(20)3-6-16/h2-11H,12H2,1H3/b19-13-
InChIKey
SFDMCMYSBLXLGY-UYRXBGFRSA-N
Compound name
1-[(Z)-1-[(4-chlorophenoxy)methoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.0199 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.027176 189.3
[M+Na]+ 431.009118 198.1
[M-H]- 407.012624 194.4
[M+NH4]+ 426.053723 200.1
[M+K]+ 446.983058 190.7
[M+H-H2O]+ 391.017160 180.0
[M+HCOO]- 453.018101 194.6
[M+CH3COO]- 467.033751 198.1
[M+Na-2H]- 428.994566 187.6
[M]+ 408.01935142 194.9
[M]- 408.02044858 194.9
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.