CID 140018

4,5-dichloroimidazole

Structural Information

Molecular Formula
C3H2Cl2N2
SMILES
C1=NC(=C(N1)Cl)Cl
InChI
InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
QAJJXHRQPLATMK-UHFFFAOYSA-N
Compound name
4,5-dichloro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1397
Patents

135.9595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.96678 120.2
[M+Na]+ 158.94872 131.4
[M-H]- 134.95222 119.3
[M+NH4]+ 153.99332 141.6
[M+K]+ 174.92266 126.9
[M+H-H2O]+ 118.95676 115.0
[M+HCOO]- 180.95770 133.1
[M+CH3COO]- 194.97335 134.0
[M+Na-2H]- 156.93417 126.4
[M]+ 135.95895 120.3
[M]- 135.96005 120.3
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