CID 200605

4,5-dibromo-1h-imidazole

Structural Information

Molecular Formula
C3H2Br2N2
SMILES
C1=NC(=C(N1)Br)Br
InChI
InChI=1S/C3H2Br2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
MYYYOBVDIRECDX-UHFFFAOYSA-N
Compound name
4,5-dibromo-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

296
Patents

223.85847 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.86575 122.6
[M+Na]+ 246.84769 135.4
[M-H]- 222.85119 127.0
[M+NH4]+ 241.89229 143.3
[M+K]+ 262.82163 120.5
[M+H-H2O]+ 206.85573 131.0
[M+HCOO]- 268.85667 138.7
[M+CH3COO]- 282.87232 189.4
[M+Na-2H]- 244.83314 131.4
[M]+ 223.85792 155.2
[M]- 223.85902 155.2
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