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]+ 150.98244 124.0
[M+Na]+ 172.96438 136.1
[M-H]- 148.96788 124.7
[M+NH4]+ 168.00898 145.8
[M+K]+ 188.93832 132.2
[M+H-H2O]+ 132.97242 118.7
[M+HCOO]- 194.97336 138.1
[M+CH3COO]- 208.98901 173.0
[M+Na-2H]- 170.94983 129.5
[M]+ 149.97461 126.6
[M]- 149.97571 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