CID 4962392

5-chloro-2-(chloromethyl)-1-methyl-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H6Cl2N2
SMILES
CN1C(=CN=C1CCl)Cl
InChI
InChI=1S/C5H6Cl2N2/c1-9-4(7)3-8-5(9)2-6/h3H,2H2,1H3
InChIKey
NCJFVBSZDWJWEY-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

163.9908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99808 128.6
[M+Na]+ 186.98002 140.4
[M-H]- 162.98352 129.2
[M+NH4]+ 182.02462 150.0
[M+K]+ 202.95396 136.2
[M+H-H2O]+ 146.98806 123.1
[M+HCOO]- 208.98900 142.4
[M+CH3COO]- 223.00465 175.9
[M+Na-2H]- 184.96547 133.6
[M]+ 163.99025 131.7
[M]- 163.99135 131.7
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