CID 3006897

1-[2,3-bis(2,4-dichlorophenyl)propyl]imidazole

Structural Information

Molecular Formula
C18H14Cl4N2
SMILES
C1=CC(=C(C=C1Cl)Cl)CC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2/c19-14-2-1-12(17(21)8-14)7-13(10-24-6-5-23-11-24)16-4-3-15(20)9-18(16)22/h1-6,8-9,11,13H,7,10H2
InChIKey
DBWFHJYOQLFDPC-UHFFFAOYSA-N
Compound name
1-[2,3-bis(2,4-dichlorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.99112 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.99840 187.7
[M+Na]+ 420.98034 197.2
[M-H]- 396.98384 190.6
[M+NH4]+ 416.02494 198.8
[M+K]+ 436.95428 188.9
[M+H-H2O]+ 380.98838 178.4
[M+HCOO]- 442.98932 187.6
[M+CH3COO]- 457.00497 195.7
[M+Na-2H]- 418.96579 185.0
[M]+ 397.99057 190.8
[M]- 397.99167 190.8
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

No patent data available for this compound.