CID 12432034

1-(2-chloro-4-(4-chlorophenyl)butyl)-1h-imidazole

Structural Information

Molecular Formula
C13H14Cl2N2
SMILES
C1=CC(=CC=C1CCC(CN2C=CN=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2/c14-12-4-1-11(2-5-12)3-6-13(15)9-17-8-7-16-10-17/h1-2,4-5,7-8,10,13H,3,6,9H2
InChIKey
PJMMKIMXEKRAAT-UHFFFAOYSA-N
Compound name
1-[2-chloro-4-(4-chlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

268.0534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.060676 158.8
[M+Na]+ 291.042618 167.4
[M-H]- 267.046124 161.5
[M+NH4]+ 286.087223 175.3
[M+K]+ 307.016558 161.0
[M+H-H2O]+ 251.050660 150.6
[M+HCOO]- 313.051601 170.5
[M+CH3COO]- 327.067251 170.0
[M+Na-2H]- 289.028066 161.3
[M]+ 268.05285142 161.9
[M]- 268.05394858 161.9
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

patents stripe