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

21
Patents

268.0534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06068 158.7
[M+Na]+ 291.04262 173.6
[M+NH4]+ 286.08722 167.6
[M+K]+ 307.01656 166.2
[M-H]- 267.04612 161.7
[M+Na-2H]- 289.02807 167.1
[M]+ 268.05285 162.3
[M]- 268.05395 162.3
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