CID 3006850

1h-imidazole, 1-[2-(2,4-dichlorophenyl)butyl]-

Structural Information

Molecular Formula
C13H14Cl2N2
SMILES
CCC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2/c1-2-10(8-17-6-5-16-9-17)12-4-3-11(14)7-13(12)15/h3-7,9-10H,2,8H2,1H3
InChIKey
OOUDWEPJNNTPKM-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.0534 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06068 158.7
[M+Na]+ 291.04262 168.2
[M-H]- 267.04612 161.8
[M+NH4]+ 286.08722 175.5
[M+K]+ 307.01656 161.8
[M+H-H2O]+ 251.05066 150.8
[M+HCOO]- 313.05160 170.4
[M+CH3COO]- 327.06725 170.3
[M+Na-2H]- 289.02807 160.5
[M]+ 268.05285 162.1
[M]- 268.05395 162.1
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

No patent data available for this compound.