CID 21298109

2,5-dichloro-1-methyl-1h-imidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

149.97516 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe