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

53
Patents

163.9908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.998076 128.6
[M+Na]+ 186.980018 140.4
[M-H]- 162.983524 129.2
[M+NH4]+ 182.024623 150.0
[M+K]+ 202.953958 136.2
[M+H-H2O]+ 146.988060 123.1
[M+HCOO]- 208.989001 142.4
[M+CH3COO]- 223.004651 175.9
[M+Na-2H]- 184.965466 133.6
[M]+ 163.99025142 131.7
[M]- 163.99134858 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