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

28
Patents

226.00645 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01373 145.4
[M+Na]+ 248.99567 156.1
[M-H]- 224.99917 147.5
[M+NH4]+ 244.04027 163.2
[M+K]+ 264.96961 149.1
[M+H-H2O]+ 209.00371 138.4
[M+HCOO]- 271.00465 157.6
[M+CH3COO]- 285.02030 157.7
[M+Na-2H]- 246.98112 149.5
[M]+ 226.00590 146.5
[M]- 226.00700 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