CID 591536

4,5-dichloro-1-methylimidazole

Structural Information

Molecular Formula
C4H4Cl2N2
SMILES
CN1C=NC(=C1Cl)Cl
InChI
InChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKey
VVYQLPWYFQBZOL-UHFFFAOYSA-N
Compound name
4,5-dichloro-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

149.97516 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.982436 124.0
[M+Na]+ 172.964378 136.1
[M-H]- 148.967884 124.7
[M+NH4]+ 168.008983 145.8
[M+K]+ 188.938318 132.2
[M+H-H2O]+ 132.972420 118.7
[M+HCOO]- 194.973361 138.1
[M+CH3COO]- 208.989011 173.0
[M+Na-2H]- 170.949826 129.5
[M]+ 149.97461142 126.6
[M]- 149.97570858 126.6
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

patents stripe