CID 3007604

107659-27-8

Structural Information

Molecular Formula
C18H12Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)C(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H12Cl4N2O2/c19-11-1-3-13(15(21)7-11)17(25)18(26,9-24-6-5-23-10-24)14-4-2-12(20)8-16(14)22/h1-8,10,26H,9H2
InChIKey
SYEUQIGXCDKCFF-UHFFFAOYSA-N
Compound name
1,2-bis(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

427.9653 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97258 191.9
[M+Na]+ 450.95452 201.2
[M-H]- 426.95802 194.6
[M+NH4]+ 445.99912 201.3
[M+K]+ 466.92846 193.7
[M+H-H2O]+ 410.96256 183.6
[M+HCOO]- 472.96350 189.7
[M+CH3COO]- 486.97915 199.4
[M+Na-2H]- 448.93997 190.1
[M]+ 427.96475 195.0
[M]- 427.96585 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe