CID 3006851

1-[2-(2,4-dichlorophenyl)pentyl]imidazole

Structural Information

Molecular Formula
C14H16Cl2N2
SMILES
CCCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2N2/c1-2-3-11(9-18-7-6-17-10-18)13-5-4-12(15)8-14(13)16/h4-8,10-11H,2-3,9H2,1H3
InChIKey
ZBRABXBOIWEJGN-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)pentyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

282.06906 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07634 163.3
[M+Na]+ 305.05828 172.4
[M-H]- 281.06178 166.2
[M+NH4]+ 300.10288 179.6
[M+K]+ 321.03222 165.7
[M+H-H2O]+ 265.06632 155.2
[M+HCOO]- 327.06726 174.7
[M+CH3COO]- 341.08291 198.5
[M+Na-2H]- 303.04373 164.6
[M]+ 282.06851 167.1
[M]- 282.06961 167.1
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