CID 3061239

4-(2',6'-dichlorobenzyl)imidazole hydrochloride

Structural Information

Molecular Formula
C10H8Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)CC2=CN=CN2)Cl
InChI
InChI=1S/C10H8Cl2N2/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-14-7/h1-3,5-6H,4H2,(H,13,14)
InChIKey
AWQNDSCEDWOTCX-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

226.00645 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.013726 145.4
[M+Na]+ 248.995668 156.1
[M-H]- 224.999174 147.5
[M+NH4]+ 244.040273 163.2
[M+K]+ 264.969608 149.1
[M+H-H2O]+ 209.003710 138.4
[M+HCOO]- 271.004651 157.6
[M+CH3COO]- 285.020301 157.7
[M+Na-2H]- 246.981116 149.5
[M]+ 226.00590142 146.5
[M]- 226.00699858 146.5
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