CID 135450683

2,5-dibromo-4-nitro-1h-imidazole

Structural Information

Molecular Formula
C3HBr2N3O2
SMILES
C1(=C(N=C(N1)Br)Br)[N+](=O)[O-]
InChI
InChI=1S/C3HBr2N3O2/c4-1-2(8(9)10)7-3(5)6-1/h(H,6,7)
InChIKey
ZGEMTDYSQTXJOF-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-nitro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

268.84354 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.85082 135.9
[M+Na]+ 291.83276 147.9
[M-H]- 267.83626 140.5
[M+NH4]+ 286.87736 154.4
[M+K]+ 307.80670 129.6
[M+H-H2O]+ 251.84080 146.4
[M+HCOO]- 313.84174 152.5
[M+CH3COO]- 327.85739 191.0
[M+Na-2H]- 289.81821 144.4
[M]+ 268.84299 168.5
[M]- 268.84409 168.5
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