CID 312392

4-bromo-5-chloro-1h-imidazole

Structural Information

Molecular Formula
C3H2BrClN2
SMILES
C1=NC(=C(N1)Cl)Br
InChI
InChI=1S/C3H2BrClN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
KRHIYYYHTXGSDW-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.909 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.916276 123.5
[M+Na]+ 202.898218 138.2
[M-H]- 178.901724 126.5
[M+NH4]+ 197.942823 146.7
[M+K]+ 218.872158 125.9
[M+H-H2O]+ 162.906260 124.1
[M+HCOO]- 224.907201 139.9
[M+CH3COO]- 238.922851 172.5
[M+Na-2H]- 200.883666 132.0
[M]+ 179.90845142 141.6
[M]- 179.90954858 141.6
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