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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.